Isohexane#

References#

Equation of State#

E.W. Lemmon and R. Span. Short Fundamental Equations of State for 20 Industrial Fluids. J. Chem. Eng. Data, 51:785–850, 2006. doi:10.1021/je050186n.

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#

ihexane, ISOHEXANE

Molecular Structure#

Isohexane — 3D conformer (interactive: click and drag to rotate)

Fluid Information#

Parameter, Value

General

Molar mass [kg/mol]

0.08617535999999999

CAS number

107-83-5

ASHRAE class

UNKNOWN

Formula

C6H14

Acentric factor

0.2797

InChI

InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3

InChIKey

AFABGHUZZDYHJO-UHFFFAOYSA-N

SMILES

CCCC(C)C

ChemSpider ID

7604

Limits

Maximum temperature [K]

550.0

Maximum pressure [Pa]

1000000000.0

Triple point

Triple point temperature [K]

119.6

Triple point pressure [Pa]

\(7.74448666750253\times 10^{-06}\)

Critical point

Critical point temperature [K]

497.70089775111575

Critical point density [kg/m3]

233.96252593125115

Critical point density [mol/m3]

2714.9584977800055

Critical point pressure [Pa]

3042658.694875517

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.

../../_images/Isohexane.png

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.

../../_images/Isohexane1.png

Flash consistency (HEOS): 96 inconsistent, 0 exceptions, 0 bad-phase across 8 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

INCONSISTENT

1phase

0.000218854

120.7

Dmolar

9358.19

Hmolar

-36301.9

DmolarHmolar

INCONSISTENT

1phase

9.51576e-05

120.7

Dmolar

9358.19

Hmolar

-36301.9

DmolarHmolar

INCONSISTENT

1phase

4.13746e-05

120.7

Dmolar

9358.19

Hmolar

-36301.9

DmolarHmolar

INCONSISTENT

1phase

1.79897e-05

120.7

Dmolar

9358.19

Hmolar

-36301.9

DmolarHmolar

INCONSISTENT

1phase

0.000503342

131.708

Dmolar

9234.52

Hmolar

-34628.7

DmolarHmolar

INCONSISTENT

1phase

0.00612341

142.715

Dmolar

9114.46

Hmolar

-32965.7

DmolarP

INCONSISTENT

1phase

0.394042

120.7

Dmolar

9358.19

P

0.394042

DmolarP

INCONSISTENT

1phase

0.906259

120.7

Dmolar

9358.19

P

0.906259

DmolarP

INCONSISTENT

1phase

0.0744943

153.723

Dmolar

8997.28

P

0.0744943

DmolarP

INCONSISTENT

1phase

0.17133

120.7

Dmolar

9358.19

P

0.17133

DmolarP

INCONSISTENT

1phase

0.000503342

120.7

Dmolar

9358.19

P

0.000503342

DmolarP

INCONSISTENT

1phase

0.00266246

120.7

Dmolar

9358.19

P

0.00266246

DmolarP

INCONSISTENT

1phase

0.17133

131.708

Dmolar

9234.52

P

0.17133

DmolarP

INCONSISTENT

1phase

0.0323902

142.715

Dmolar

9114.46

P

0.0323902

DmolarP

INCONSISTENT

1phase

0.0323902

131.708

Dmolar

9234.52

P

0.0323902

DmolarP

INCONSISTENT

1phase

0.0140833

120.7

Dmolar

9358.19

P

0.0140833

DmolarP

INCONSISTENT

1phase

0.394042

164.731

Dmolar

8882.35

P

0.394042

DmolarP

INCONSISTENT

1phase

0.17133

142.715

Dmolar

9114.46

P

0.17133

DmolarP

INCONSISTENT

1phase

4.13746e-05

120.7

Dmolar

9358.19

P

4.13746e-05

DmolarP

INCONSISTENT

1phase

1.79897e-05

120.7

Dmolar

9358.19

P

1.79897e-05

DmolarP

INCONSISTENT

1phase

0.000503342

131.708

Dmolar

9234.52

P

0.000503342

DmolarP

INCONSISTENT

1phase

0.00115764

120.7

Dmolar

9358.19

P

0.00115764

DmolarP

INCONSISTENT

1phase

0.000218854

120.7

Dmolar

9358.19

P

0.000218854

DmolarP

INCONSISTENT

1phase

9.51576e-05

120.7

Dmolar

9358.19

P

9.51576e-05

DmolarP

INCONSISTENT

1phase

0.0323902

120.7

Dmolar

9358.19

P

0.0323902

DmolarP

INCONSISTENT

1phase

0.0140833

142.715

Dmolar

9114.46

P

0.0140833

DmolarSmolar

INCONSISTENT

1phase

0.000503342

120.7

Dmolar

9358.19

Smolar

-168.618

DmolarSmolar

INCONSISTENT

1phase

0.000218854

120.7

Dmolar

9358.19

Smolar

-168.618

DmolarSmolar

INCONSISTENT

1phase

9.51576e-05

120.7

Dmolar

9358.19

Smolar

-168.618

DmolarSmolar

INCONSISTENT

1phase

4.13746e-05

120.7

Dmolar

9358.19

Smolar

-168.618

DmolarSmolar

INCONSISTENT

1phase

0.00115764

131.708

Dmolar

9234.52

Smolar

-155.35

DmolarSmolar

INCONSISTENT

1phase

1.79897e-05

120.7

Dmolar

9358.19

Smolar

-168.618

DmolarSmolar

INCONSISTENT

1phase

0.000503342

131.708

Dmolar

9234.52

Smolar

-155.35

DmolarT

INCONSISTENT

2phase

1.08121e-05

120.6

Dmolar

9359.33

T

120.6

DmolarT

INCONSISTENT

1phase

9.51576e-05

120.7

Dmolar

9358.19

T

120.7

DmolarT

INCONSISTENT

1phase

1.79897e-05

120.7

Dmolar

9358.19

T

120.7

DmolarT

INCONSISTENT

2phase

1.08121e-05

120.6

Dmolar

1.07397e-08

T

120.6

DmolarT

INCONSISTENT

1phase

4.13746e-05

120.7

Dmolar

9358.19

T

120.7

DmolarUmolar

INCONSISTENT

1phase

0.000503342

120.7

Dmolar

9358.19

Umolar

-36301.9

DmolarUmolar

INCONSISTENT

1phase

0.000218854

120.7

Dmolar

9358.19

Umolar

-36301.9

DmolarUmolar

INCONSISTENT

1phase

9.51576e-05

120.7

Dmolar

9358.19

Umolar

-36301.9

DmolarUmolar

INCONSISTENT

1phase

4.13746e-05

120.7

Dmolar

9358.19

Umolar

-36301.9

DmolarUmolar

INCONSISTENT

1phase

0.00115764

131.708

Dmolar

9234.52

Umolar

-34628.7

DmolarUmolar

INCONSISTENT

1phase

1.79897e-05

120.7

Dmolar

9358.19

Umolar

-36301.9

DmolarUmolar

INCONSISTENT

1phase

0.000503342

131.708

Dmolar

9234.52

Umolar

-34628.7

HmolarP

INCONSISTENT

2phase

1.08121e-05

120.6

Hmolar

-36317.1

P

1.08121e-05

HmolarSmolar

INCONSISTENT

2phase

1.08121e-05

120.6

Hmolar

-36317.1

Smolar

-168.744

HmolarSmolar

INCONSISTENT

1phase

0.000218854

120.7

Hmolar

-36301.9

Smolar

-168.618

HmolarSmolar

INCONSISTENT

1phase

9.51576e-05

120.7

Hmolar

-36301.9

Smolar

-168.618

HmolarSmolar

INCONSISTENT

1phase

0.000503342

131.708

Hmolar

-34628.7

Smolar

-155.35

HmolarSmolar

INCONSISTENT

1phase

4.13746e-05

120.7

Hmolar

-36301.9

Smolar

-168.618

HmolarSmolar

INCONSISTENT

1phase

1.79897e-05

120.7

Hmolar

-36301.9

Smolar

-168.618

HmolarSmolar

INCONSISTENT

2phase

3.65839

179.984

Hmolar

-27299.5

Smolar

-107.965

HmolarSmolar

INCONSISTENT

2phase

1.08121e-05

120.6

Hmolar

4276.91

Smolar

167.856

HmolarSmolar

INCONSISTENT

2phase

260.049

219.574

Hmolar

-21012.5

Smolar

-76.4235

HmolarSmolar

INCONSISTENT

1phase

0.000503342

120.7

Hmolar

-36301.9

Smolar

-168.618

SmolarT

INCONSISTENT

1phase

0.0323902

142.715

Smolar

-143.224

T

142.715

SmolarT

INCONSISTENT

1phase

9.51576e-05

120.7

Smolar

-168.618

T

120.7

SmolarT

INCONSISTENT

1phase

1.79897e-05

120.7

Smolar

-168.618

T

120.7

SmolarT

INCONSISTENT

1phase

0.0140833

142.715

Smolar

-143.224

T

142.715

SmolarT

INCONSISTENT

1phase

0.0744943

131.708

Smolar

-155.35

T

131.708

SmolarT

INCONSISTENT

1phase

0.0323902

131.708

Smolar

-155.35

T

131.708

SmolarT

INCONSISTENT

1phase

0.0140833

131.708

Smolar

-155.35

T

131.708

SmolarT

INCONSISTENT

1phase

0.00612341

131.708

Smolar

-155.35

T

131.708

SmolarT

INCONSISTENT

1phase

0.00266246

131.708

Smolar

-155.35

T

131.708

SmolarT

INCONSISTENT

1phase

0.0744943

153.723

Smolar

-132.007

T

153.723

SmolarT

INCONSISTENT

1phase

0.00115764

131.708

Smolar

-155.35

T

131.708

SmolarT

INCONSISTENT

1phase

0.000503342

131.708

Smolar

-155.35

T

131.708

SmolarT

INCONSISTENT

1phase

0.00612341

142.715

Smolar

-143.224

T

142.715

SmolarT

INCONSISTENT

1phase

0.000218854

120.7

Smolar

-168.618

T

120.7

SmolarT

INCONSISTENT

1phase

0.394042

164.731

Smolar

-121.525

T

164.731

SmolarT

INCONSISTENT

1phase

0.394042

120.7

Smolar

-168.618

T

120.7

SmolarT

INCONSISTENT

1phase

0.906259

120.7

Smolar

-168.618

T

120.7

SmolarT

INCONSISTENT

1phase

0.0744943

120.7

Smolar

-168.618

T

120.7

SmolarT

INCONSISTENT

1phase

0.17133

120.7

Smolar

-168.618

T

120.7

SmolarT

INCONSISTENT

1phase

0.0140833

120.7

Smolar

-168.618

T

120.7

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.

../../_images/Isohexane2.png