n-Octane

References

Equation of State

R. Beckmueller, M. Thol, E.W. Lemmon, and R. Span. Fundamental equation of state for n-octane. Int. J. Therrmophys., 2019.

Thermal Conductivity

M.L. Huber and R.A. Perkins. Thermal conductivity correlations for minor constituent fluids in natural gas: n-octane, n-nonane and n-decane. Fluid Phase Equilib., 227:47–55, 2005. doi:10.1016/j.fluid.2004.10.031.

Viscosity

Marcia L. Huber, Arno Laesecke, and Hong Wei Xiang. Viscosity correlations for minor constituent fluids in natural gas: n-octane, n-nonane and n-decane. Fluid Phase Equilib., 224:263–270, 2004. doi:10.1016/j.fluid.2004.07.012.

Surface Tension

A. Mulero, I. Cachadiña, and M. I. Parra. Recommended Correlations for the Surface Tension of Common Fluids. J. Phys. Chem. Ref. Data, 41(4):043105–1:13, 2012. doi:10.1063/1.4768782.

Aliases

nOctane, Octane, OCTANE, N-OCTANE, NC8H18, n-C8H18

Molecular Structure

n-Octane — 3D conformer (interactive: click and drag to rotate)

Fluid Information

Parameter, Value
General
Molar mass [kg/mol]	0.114229
CAS number	111-65-9
ASHRAE class	UNKNOWN
Formula	C8H18
Acentric factor	0.39752829818330415
InChI	InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKey	TVMXDCGIABBOFY-UHFFFAOYSA-N
SMILES	CCCCCCCC
ChemSpider ID	349
Limits
Maximum temperature [K]	730.0
Maximum pressure [Pa]	1000000000.0
Triple point
Triple point temperature [K]	216.37
Triple point pressure [Pa]	2.0745859950296133
Critical point
Critical point temperature [K]	568.7399999458576
Critical point density [kg/m3]	232.0013175474374
Critical point density [mol/m3]	2031.019421928209
Critical point pressure [Pa]	2483591.1977593484

REFPROP Validation Data

Note

This figure compares the results generated from CoolProp and those generated from REFPROP. They are all results obtained in the form \(Y(T,\rho)\), where \(Y\) is the parameter of interest and which for all EOS is a direct evaluation of the EOS

You can download the script that generated the following figure here: (link to script), right-click the link and then save as… or the equivalent in your browser. You can also download this figure as a PDF.

Consistency Plots

The following figure shows all the flash routines that are available for this fluid. A red + is a failure of the flash routine, a black dot is a success. Hopefully you will only see black dots. The red curve is the maximum temperature curve, and the blue curve is the melting line if one is available for the fluid.

In this figure, we start off with a state point given by T,P and then we calculate each of the other possible output pairs in turn, and then try to re-calculate T,P from the new input pair. If we don’t arrive back at the original T,P values, there is a problem in the flash routine in CoolProp. For more information on how these figures were generated, see CoolProp.Plots.ConsistencyPlots

Note

You can download the script that generated the following figure here: (link to script), right-click the link and then save as… or the equivalent in your browser. You can also download this figure as a PDF.

Flash consistency (HEOS): 3 inconsistent, 184 exceptions, 0 bad-phase across 11 input pair(s).

Download full failure list (CSV)

Failing state points (sample, up to 20 per pair/class)

Pair	Class	Region	P [Pa]	T [K]	In1	Val1	In2	Val2	Error
DmolarHmolar	EXCEPTION	1phase	1e+09	217.47	P	1e+09	T	217.47	Inputs in Brent [6672.599800,7422.547052] do not bracket the root. Function values are [-1.000444,-0.746050]
DmolarHmolar	EXCEPTION	1phase	1e+09	230.612	P	1e+09	T	230.612	Inputs in Brent [6580.614480,7422.547052] do not bracket the root. Function values are [-1.000692,-0.718153]
DmolarHmolar	EXCEPTION	1phase	1e+09	243.754	P	1e+09	T	243.754	Inputs in Brent [6488.333970,7422.547052] do not bracket the root. Function values are [-1.000956,-0.690978]
DmolarHmolar	EXCEPTION	1phase	1e+09	256.895	P	1e+09	T	256.895	Inputs in Brent [6395.567404,7422.547052] do not bracket the root. Function values are [-1.001220,-0.664471]
DmolarHmolar	EXCEPTION	1phase	1e+09	270.037	P	1e+09	T	270.037	Inputs in Brent [6302.141080,7422.547052] do not bracket the root. Function values are [-1.001471,-0.638583]
DmolarHmolar	EXCEPTION	1phase	1e+09	283.179	P	1e+09	T	283.179	Inputs in Brent [6207.892619,7422.547052] do not bracket the root. Function values are [-1.001699,-0.613270]
DmolarHmolar	EXCEPTION	1phase	1e+09	296.321	P	1e+09	T	296.321	Inputs in Brent [6112.664793,7422.547052] do not bracket the root. Function values are [-1.001894,-0.588494]
DmolarHmolar	EXCEPTION	1phase	1e+09	309.463	P	1e+09	T	309.463	Inputs in Brent [6016.298969,7422.547052] do not bracket the root. Function values are [-1.002048,-0.564220]
DmolarP	EXCEPTION	1phase	1e+09	217.47	P	1e+09	T	217.47	Inputs in Brent [6672.599800,7422.547052] do not bracket the root. Function values are [-1.000444,-0.746050]
DmolarP	EXCEPTION	1phase	1e+09	230.612	P	1e+09	T	230.612	Inputs in Brent [6580.614480,7422.547052] do not bracket the root. Function values are [-1.000692,-0.718153]
DmolarP	EXCEPTION	1phase	1e+09	243.754	P	1e+09	T	243.754	Inputs in Brent [6488.333970,7422.547052] do not bracket the root. Function values are [-1.000956,-0.690978]
DmolarP	EXCEPTION	1phase	1e+09	256.895	P	1e+09	T	256.895	Inputs in Brent [6395.567404,7422.547052] do not bracket the root. Function values are [-1.001220,-0.664471]
DmolarP	EXCEPTION	1phase	1e+09	270.037	P	1e+09	T	270.037	Inputs in Brent [6302.141080,7422.547052] do not bracket the root. Function values are [-1.001471,-0.638583]
DmolarP	EXCEPTION	1phase	1e+09	283.179	P	1e+09	T	283.179	Inputs in Brent [6207.892619,7422.547052] do not bracket the root. Function values are [-1.001699,-0.613270]
DmolarP	EXCEPTION	1phase	1e+09	296.321	P	1e+09	T	296.321	Inputs in Brent [6112.664793,7422.547052] do not bracket the root. Function values are [-1.001894,-0.588494]
DmolarP	EXCEPTION	1phase	1e+09	309.463	P	1e+09	T	309.463	Inputs in Brent [6016.298969,7422.547052] do not bracket the root. Function values are [-1.002048,-0.564220]
DmolarP	INCONSISTENT	1phase	3.49772	217.47	Dmolar	6674.73	P	3.49778
DmolarSmolar	EXCEPTION	1phase	1e+09	217.47	P	1e+09	T	217.47	Inputs in Brent [6672.599800,7422.547052] do not bracket the root. Function values are [-1.000444,-0.746050]
DmolarSmolar	EXCEPTION	1phase	1e+09	230.612	P	1e+09	T	230.612	Inputs in Brent [6580.614480,7422.547052] do not bracket the root. Function values are [-1.000692,-0.718153]
DmolarSmolar	EXCEPTION	1phase	1e+09	243.754	P	1e+09	T	243.754	Inputs in Brent [6488.333970,7422.547052] do not bracket the root. Function values are [-1.000956,-0.690978]
DmolarSmolar	EXCEPTION	1phase	1e+09	256.895	P	1e+09	T	256.895	Inputs in Brent [6395.567404,7422.547052] do not bracket the root. Function values are [-1.001220,-0.664471]
DmolarSmolar	EXCEPTION	1phase	1e+09	270.037	P	1e+09	T	270.037	Inputs in Brent [6302.141080,7422.547052] do not bracket the root. Function values are [-1.001471,-0.638583]
DmolarSmolar	EXCEPTION	1phase	1e+09	283.179	P	1e+09	T	283.179	Inputs in Brent [6207.892619,7422.547052] do not bracket the root. Function values are [-1.001699,-0.613270]
DmolarSmolar	EXCEPTION	1phase	1e+09	296.321	P	1e+09	T	296.321	Inputs in Brent [6112.664793,7422.547052] do not bracket the root. Function values are [-1.001894,-0.588494]
DmolarSmolar	EXCEPTION	1phase	1e+09	309.463	P	1e+09	T	309.463	Inputs in Brent [6016.298969,7422.547052] do not bracket the root. Function values are [-1.002048,-0.564220]
DmolarT	EXCEPTION	1phase	1e+09	217.47	P	1e+09	T	217.47	Inputs in Brent [6672.599800,7422.547052] do not bracket the root. Function values are [-1.000444,-0.746050]
DmolarT	EXCEPTION	1phase	1e+09	230.612	P	1e+09	T	230.612	Inputs in Brent [6580.614480,7422.547052] do not bracket the root. Function values are [-1.000692,-0.718153]
DmolarT	EXCEPTION	1phase	1e+09	243.754	P	1e+09	T	243.754	Inputs in Brent [6488.333970,7422.547052] do not bracket the root. Function values are [-1.000956,-0.690978]
DmolarT	EXCEPTION	1phase	1e+09	256.895	P	1e+09	T	256.895	Inputs in Brent [6395.567404,7422.547052] do not bracket the root. Function values are [-1.001220,-0.664471]
DmolarT	EXCEPTION	1phase	1e+09	270.037	P	1e+09	T	270.037	Inputs in Brent [6302.141080,7422.547052] do not bracket the root. Function values are [-1.001471,-0.638583]
DmolarT	EXCEPTION	1phase	1e+09	283.179	P	1e+09	T	283.179	Inputs in Brent [6207.892619,7422.547052] do not bracket the root. Function values are [-1.001699,-0.613270]
DmolarT	EXCEPTION	1phase	1e+09	296.321	P	1e+09	T	296.321	Inputs in Brent [6112.664793,7422.547052] do not bracket the root. Function values are [-1.001894,-0.588494]
DmolarT	EXCEPTION	1phase	1e+09	309.463	P	1e+09	T	309.463	Inputs in Brent [6016.298969,7422.547052] do not bracket the root. Function values are [-1.002048,-0.564220]
DmolarUmolar	EXCEPTION	1phase	1e+09	217.47	P	1e+09	T	217.47	Inputs in Brent [6672.599800,7422.547052] do not bracket the root. Function values are [-1.000444,-0.746050]
DmolarUmolar	EXCEPTION	1phase	1e+09	230.612	P	1e+09	T	230.612	Inputs in Brent [6580.614480,7422.547052] do not bracket the root. Function values are [-1.000692,-0.718153]
DmolarUmolar	EXCEPTION	1phase	1e+09	243.754	P	1e+09	T	243.754	Inputs in Brent [6488.333970,7422.547052] do not bracket the root. Function values are [-1.000956,-0.690978]
DmolarUmolar	EXCEPTION	1phase	1e+09	256.895	P	1e+09	T	256.895	Inputs in Brent [6395.567404,7422.547052] do not bracket the root. Function values are [-1.001220,-0.664471]
DmolarUmolar	EXCEPTION	1phase	1e+09	270.037	P	1e+09	T	270.037	Inputs in Brent [6302.141080,7422.547052] do not bracket the root. Function values are [-1.001471,-0.638583]
DmolarUmolar	EXCEPTION	1phase	1e+09	283.179	P	1e+09	T	283.179	Inputs in Brent [6207.892619,7422.547052] do not bracket the root. Function values are [-1.001699,-0.613270]
DmolarUmolar	EXCEPTION	1phase	1e+09	296.321	P	1e+09	T	296.321	Inputs in Brent [6112.664793,7422.547052] do not bracket the root. Function values are [-1.001894,-0.588494]
DmolarUmolar	EXCEPTION	1phase	1e+09	309.463	P	1e+09	T	309.463	Inputs in Brent [6016.298969,7422.547052] do not bracket the root. Function values are [-1.002048,-0.564220]
HmolarP	EXCEPTION	1phase	1e+09	217.47	P	1e+09	T	217.47	Inputs in Brent [6672.599800,7422.547052] do not bracket the root. Function values are [-1.000444,-0.746050]
HmolarP	EXCEPTION	1phase	1e+09	230.612	P	1e+09	T	230.612	Inputs in Brent [6580.614480,7422.547052] do not bracket the root. Function values are [-1.000692,-0.718153]
HmolarP	EXCEPTION	1phase	1e+09	243.754	P	1e+09	T	243.754	Inputs in Brent [6488.333970,7422.547052] do not bracket the root. Function values are [-1.000956,-0.690978]
HmolarP	EXCEPTION	1phase	1e+09	256.895	P	1e+09	T	256.895	Inputs in Brent [6395.567404,7422.547052] do not bracket the root. Function values are [-1.001220,-0.664471]
HmolarP	EXCEPTION	1phase	1e+09	270.037	P	1e+09	T	270.037	Inputs in Brent [6302.141080,7422.547052] do not bracket the root. Function values are [-1.001471,-0.638583]
HmolarP	EXCEPTION	1phase	1e+09	283.179	P	1e+09	T	283.179	Inputs in Brent [6207.892619,7422.547052] do not bracket the root. Function values are [-1.001699,-0.613270]
HmolarP	EXCEPTION	1phase	1e+09	296.321	P	1e+09	T	296.321	Inputs in Brent [6112.664793,7422.547052] do not bracket the root. Function values are [-1.001894,-0.588494]
HmolarP	EXCEPTION	1phase	1e+09	309.463	P	1e+09	T	309.463	Inputs in Brent [6016.298969,7422.547052] do not bracket the root. Function values are [-1.002048,-0.564220]
HmolarP	EXCEPTION	1phase	1e+09	322.604	Hmolar	94078.6	P	1e+09	unable to solve 1phase PY flash with Tmin=216.369, Tmax=1095 due to error: Inputs in Brent [6680.299340,7422.547052] do not bracket the root. Function values are [-1.000425,-0.748422]
HmolarSmolar	EXCEPTION	1phase	1e+09	217.47	P	1e+09	T	217.47	Inputs in Brent [6672.599800,7422.547052] do not bracket the root. Function values are [-1.000444,-0.746050]
HmolarSmolar	EXCEPTION	1phase	1e+09	230.612	P	1e+09	T	230.612	Inputs in Brent [6580.614480,7422.547052] do not bracket the root. Function values are [-1.000692,-0.718153]
HmolarSmolar	EXCEPTION	1phase	1e+09	243.754	P	1e+09	T	243.754	Inputs in Brent [6488.333970,7422.547052] do not bracket the root. Function values are [-1.000956,-0.690978]
HmolarSmolar	EXCEPTION	1phase	1e+09	256.895	P	1e+09	T	256.895	Inputs in Brent [6395.567404,7422.547052] do not bracket the root. Function values are [-1.001220,-0.664471]
HmolarSmolar	EXCEPTION	1phase	1e+09	270.037	P	1e+09	T	270.037	Inputs in Brent [6302.141080,7422.547052] do not bracket the root. Function values are [-1.001471,-0.638583]
HmolarSmolar	EXCEPTION	1phase	1e+09	283.179	P	1e+09	T	283.179	Inputs in Brent [6207.892619,7422.547052] do not bracket the root. Function values are [-1.001699,-0.613270]
HmolarSmolar	EXCEPTION	1phase	1e+09	296.321	P	1e+09	T	296.321	Inputs in Brent [6112.664793,7422.547052] do not bracket the root. Function values are [-1.001894,-0.588494]
HmolarSmolar	EXCEPTION	1phase	1e+09	309.463	P	1e+09	T	309.463	Inputs in Brent [6016.298969,7422.547052] do not bracket the root. Function values are [-1.002048,-0.564220]
HmolarSmolar	INCONSISTENT	2phase	2.34056	217.37	Hmolar	-47300.8	Smolar	-155.869
HmolarSmolar	INCONSISTENT	2phase	17.4874	235.811	Hmolar	-43068	Smolar	-137.182
PSmolar	EXCEPTION	1phase	1e+09	217.47	P	1e+09	T	217.47	Inputs in Brent [6672.599800,7422.547052] do not bracket the root. Function values are [-1.000444,-0.746050]
PSmolar	EXCEPTION	1phase	1e+09	230.612	P	1e+09	T	230.612	Inputs in Brent [6580.614480,7422.547052] do not bracket the root. Function values are [-1.000692,-0.718153]
PSmolar	EXCEPTION	1phase	1e+09	243.754	P	1e+09	T	243.754	Inputs in Brent [6488.333970,7422.547052] do not bracket the root. Function values are [-1.000956,-0.690978]
PSmolar	EXCEPTION	1phase	1e+09	256.895	P	1e+09	T	256.895	Inputs in Brent [6395.567404,7422.547052] do not bracket the root. Function values are [-1.001220,-0.664471]
PSmolar	EXCEPTION	1phase	1e+09	270.037	P	1e+09	T	270.037	Inputs in Brent [6302.141080,7422.547052] do not bracket the root. Function values are [-1.001471,-0.638583]
PSmolar	EXCEPTION	1phase	1e+09	283.179	P	1e+09	T	283.179	Inputs in Brent [6207.892619,7422.547052] do not bracket the root. Function values are [-1.001699,-0.613270]
PSmolar	EXCEPTION	1phase	1e+09	296.321	P	1e+09	T	296.321	Inputs in Brent [6112.664793,7422.547052] do not bracket the root. Function values are [-1.001894,-0.588494]
PSmolar	EXCEPTION	1phase	1e+09	309.463	P	1e+09	T	309.463	Inputs in Brent [6016.298969,7422.547052] do not bracket the root. Function values are [-1.002048,-0.564220]
PSmolar	EXCEPTION	1phase	1e+09	322.604	P	1e+09	Smolar	-124.367	unable to solve 1phase PY flash with Tmin=216.369, Tmax=1095 due to error: Inputs in Brent [6680.299340,7422.547052] do not bracket the root. Function values are [-1.000425,-0.748422]
PT	EXCEPTION	1phase	1e+09	217.47	P	1e+09	T	217.47	Inputs in Brent [6672.599800,7422.547052] do not bracket the root. Function values are [-1.000444,-0.746050]
PT	EXCEPTION	1phase	1e+09	230.612	P	1e+09	T	230.612	Inputs in Brent [6580.614480,7422.547052] do not bracket the root. Function values are [-1.000692,-0.718153]
PT	EXCEPTION	1phase	1e+09	243.754	P	1e+09	T	243.754	Inputs in Brent [6488.333970,7422.547052] do not bracket the root. Function values are [-1.000956,-0.690978]
PT	EXCEPTION	1phase	1e+09	256.895	P	1e+09	T	256.895	Inputs in Brent [6395.567404,7422.547052] do not bracket the root. Function values are [-1.001220,-0.664471]
PT	EXCEPTION	1phase	1e+09	270.037	P	1e+09	T	270.037	Inputs in Brent [6302.141080,7422.547052] do not bracket the root. Function values are [-1.001471,-0.638583]
PT	EXCEPTION	1phase	1e+09	283.179	P	1e+09	T	283.179	Inputs in Brent [6207.892619,7422.547052] do not bracket the root. Function values are [-1.001699,-0.613270]
PT	EXCEPTION	1phase	1e+09	296.321	P	1e+09	T	296.321	Inputs in Brent [6112.664793,7422.547052] do not bracket the root. Function values are [-1.001894,-0.588494]
PT	EXCEPTION	1phase	1e+09	309.463	P	1e+09	T	309.463	Inputs in Brent [6016.298969,7422.547052] do not bracket the root. Function values are [-1.002048,-0.564220]
PUmolar	EXCEPTION	1phase	1e+09	217.47	P	1e+09	T	217.47	Inputs in Brent [6672.599800,7422.547052] do not bracket the root. Function values are [-1.000444,-0.746050]
PUmolar	EXCEPTION	1phase	1e+09	230.612	P	1e+09	T	230.612	Inputs in Brent [6580.614480,7422.547052] do not bracket the root. Function values are [-1.000692,-0.718153]
PUmolar	EXCEPTION	1phase	1e+09	243.754	P	1e+09	T	243.754	Inputs in Brent [6488.333970,7422.547052] do not bracket the root. Function values are [-1.000956,-0.690978]
PUmolar	EXCEPTION	1phase	1e+09	256.895	P	1e+09	T	256.895	Inputs in Brent [6395.567404,7422.547052] do not bracket the root. Function values are [-1.001220,-0.664471]
PUmolar	EXCEPTION	1phase	1e+09	270.037	P	1e+09	T	270.037	Inputs in Brent [6302.141080,7422.547052] do not bracket the root. Function values are [-1.001471,-0.638583]
PUmolar	EXCEPTION	1phase	1e+09	283.179	P	1e+09	T	283.179	Inputs in Brent [6207.892619,7422.547052] do not bracket the root. Function values are [-1.001699,-0.613270]
PUmolar	EXCEPTION	1phase	1e+09	296.321	P	1e+09	T	296.321	Inputs in Brent [6112.664793,7422.547052] do not bracket the root. Function values are [-1.001894,-0.588494]
PUmolar	EXCEPTION	1phase	1e+09	309.463	P	1e+09	T	309.463	Inputs in Brent [6016.298969,7422.547052] do not bracket the root. Function values are [-1.002048,-0.564220]
PUmolar	EXCEPTION	1phase	1e+09	322.604	P	1e+09	Umolar	-29291.3	unable to solve 1phase PY flash with Tmin=216.369, Tmax=1095 due to error: Inputs in Brent [6680.299340,7422.547052] do not bracket the root. Function values are [-1.000425,-0.748422]
SmolarT	EXCEPTION	1phase	1e+09	217.47	P	1e+09	T	217.47	Inputs in Brent [6672.599800,7422.547052] do not bracket the root. Function values are [-1.000444,-0.746050]
SmolarT	EXCEPTION	1phase	1e+09	230.612	P	1e+09	T	230.612	Inputs in Brent [6580.614480,7422.547052] do not bracket the root. Function values are [-1.000692,-0.718153]
SmolarT	EXCEPTION	1phase	1e+09	243.754	P	1e+09	T	243.754	Inputs in Brent [6488.333970,7422.547052] do not bracket the root. Function values are [-1.000956,-0.690978]
SmolarT	EXCEPTION	1phase	1e+09	256.895	P	1e+09	T	256.895	Inputs in Brent [6395.567404,7422.547052] do not bracket the root. Function values are [-1.001220,-0.664471]
SmolarT	EXCEPTION	1phase	1e+09	270.037	P	1e+09	T	270.037	Inputs in Brent [6302.141080,7422.547052] do not bracket the root. Function values are [-1.001471,-0.638583]
SmolarT	EXCEPTION	1phase	1e+09	283.179	P	1e+09	T	283.179	Inputs in Brent [6207.892619,7422.547052] do not bracket the root. Function values are [-1.001699,-0.613270]
SmolarT	EXCEPTION	1phase	1e+09	296.321	P	1e+09	T	296.321	Inputs in Brent [6112.664793,7422.547052] do not bracket the root. Function values are [-1.001894,-0.588494]
SmolarT	EXCEPTION	1phase	1e+09	309.463	P	1e+09	T	309.463	Inputs in Brent [6016.298969,7422.547052] do not bracket the root. Function values are [-1.002048,-0.564220]

Superancillary Plots

The following figure shows the accuracy of the superancillary functions relative to extended precision calculations carried out in C++ with the teqp library. The results of the iterative calculations with REFPROP and CoolProp are also shown.

Note

You can download the script that generated the following figure here: (link to script), right-click the link and then save as… or the equivalent in your browser. You can also download this figure as a PDF.