Ethanol#

References#

Equation of State#

J. A. Schroeder, S. G. Penoncello, and J. S. Schroeder. A Fundamental Equation of State for Ethanol. J. Phys. Chem. Ref. Data, 43(4):043102, 2014. doi:10.1063/1.4895394.

Thermal Conductivity#

M. J. Assael, E. A. Sykioti, M. L. Huber, and R. A. Perkins. Reference Correlation of the Thermal Conductivity of Ethanol from the Triple Point to 600 K and up to 245 MPa. J. Phys. Chem. Ref. Data, 42(2):023102–1:10, 2013. doi:10.1063/1.4797368.

Viscosity#

S. B. Kiselev, J. F. Ely, I. M. Abdulagatov, and M. L. Huber. Generalized SAFT-DFT/DMT Model for the Thermodynamic, Interfacial, and Transport Properties of Associating Fluids: Application for n-Alkanols. Ind. Eng. Chem. Res., 44:6916–6927, 2005. doi:10.1021/ie050010e.

Melting Line#

T. F. Sun, J. A. Schouten, N. J. Trappeniers, and S. N. Biswas. Accurate Measurement of the Melting Line of Methanol and Ethanol at Pressures up to 270 MPa. Ber. Bunsenges. Phys. Chem., 92:652–655, 1988. doi:10.1002/bbpc.198800153.

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#

C2H6O, ethanol, ETHANOL

Molecular Structure#

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

Fluid Information#

Parameter, Value

General

Molar mass [kg/mol]

0.04606844

CAS number

64-17-5

ASHRAE class

UNKNOWN

Formula

C2H6O

Acentric factor

0.644

InChI

InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

InChIKey

LFQSCWFLJHTTHZ-UHFFFAOYSA-N

SMILES

CCO

ChemSpider ID

682

Limits

Maximum temperature [K]

650.0

Maximum pressure [Pa]

280000000.0

Triple point

Triple point temperature [K]

159.10000000000002

Triple point pressure [Pa]

0.0007353928225172699

Critical point

Critical point temperature [K]

514.7092848812961

Critical point density [kg/m3]

273.2174682267578

Critical point density [mol/m3]

5930.686348978992

Critical point pressure [Pa]

6267914.582702095

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/Ethanol.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/Ethanol1.png

Flash consistency (HEOS): 85 inconsistent, 136 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

0.000742747

158.37

Dmolar

19746.5

Hmolar

-19918.5

D < DLtriple -19918.5 -19788.3

DmolarHmolar

EXCEPTION

1phase

641.821

158.37

Dmolar

19746.5

Hmolar

-19918.4

D < DLtriple -19918.4 -19788.3

DmolarHmolar

EXCEPTION

1phase

2518.09

158.37

Dmolar

19746.5

Hmolar

-19918.3

D < DLtriple -19918.3 -19788.2

DmolarHmolar

EXCEPTION

1phase

4987.69

158.371

Dmolar

19746.5

Hmolar

-19918.2

D < DLtriple -19918.2 -19788.2

DmolarHmolar

EXCEPTION

1phase

9879.35

158.371

Dmolar

19746.6

Hmolar

-19918

D < DLtriple -19918 -19788

DmolarHmolar

EXCEPTION

1phase

19568.5

158.373

Dmolar

19746.6

Hmolar

-19917.5

D < DLtriple -19917.5 -19787.7

DmolarHmolar

EXCEPTION

1phase

38760.2

158.375

Dmolar

19746.8

Hmolar

-19916.5

D < DLtriple -19916.5 -19787.2

DmolarHmolar

EXCEPTION

1phase

76774

158.381

Dmolar

19747

Hmolar

-19914.5

D < DLtriple -19914.5 -19786.1

DmolarHmolar

EXCEPTION

1phase

152070

158.391

Dmolar

19747.6

Hmolar

-19910.5

D < DLtriple -19910.5 -19784

DmolarHmolar

EXCEPTION

1phase

301212

158.411

Dmolar

19748.6

Hmolar

-19902.7

D < DLtriple -19902.7 -19779.8

DmolarHmolar

EXCEPTION

1phase

596623

158.452

Dmolar

19750.6

Hmolar

-19887.3

D < DLtriple -19887.3 -19771.6

DmolarHmolar

EXCEPTION

1phase

1.18176e+06

158.532

Dmolar

19754.7

Hmolar

-19856.8

D < DLtriple -19856.8 -19755.2

DmolarHmolar

EXCEPTION

1phase

2.34076e+06

158.69

Dmolar

19762.7

Hmolar

-19796.2

D < DLtriple -19796.2 -19722.8

DmolarHmolar

EXCEPTION

1phase

4.63646e+06

159.004

Dmolar

19778.3

Hmolar

-19676.3

D < DLtriple -19676.3 -19659

DmolarHmolar

INCONSISTENT

1phase

0.0114329

170.976

Dmolar

19462.5

Hmolar

-18848.6

DmolarP

INCONSISTENT

1phase

0.0114329

170.976

Dmolar

19462.5

P

0.0114261

DmolarP

INCONSISTENT

1phase

0.00291406

158.37

Dmolar

19746.5

P

0.00291271

DmolarP

INCONSISTENT

1phase

0.0448552

158.37

Dmolar

19746.5

P

0.0448594

DmolarP

INCONSISTENT

1phase

0.0448552

170.976

Dmolar

19462.5

P

0.0448442

DmolarP

INCONSISTENT

1phase

0.0226456

170.976

Dmolar

19462.5

P

0.0226439

DmolarP

INCONSISTENT

1phase

0.0226456

158.37

Dmolar

19746.5

P

0.0226501

DmolarP

INCONSISTENT

1phase

5.36554

208.794

Dmolar

18703.1

P

5.36554

DmolarP

INCONSISTENT

1phase

0.690442

183.582

Dmolar

19199.9

P

0.690434

DmolarP

INCONSISTENT

1phase

0.175983

158.37

Dmolar

19746.5

P

0.175982

DmolarP

INCONSISTENT

1phase

0.0888467

170.976

Dmolar

19462.5

P

0.0888465

DmolarP

INCONSISTENT

1phase

1.36759

196.188

Dmolar

18948.2

P

1.36759

DmolarP

INCONSISTENT

1phase

2.70885

196.188

Dmolar

18948.2

P

2.70884

DmolarP

INCONSISTENT

1phase

0.690442

158.37

Dmolar

19746.5

P

0.690444

DmolarP

INCONSISTENT

1phase

0.00147119

158.37

Dmolar

19746.5

P

0.00147633

DmolarP

INCONSISTENT

1phase

0.00577201

158.37

Dmolar

19746.5

P

0.00577263

DmolarP

INCONSISTENT

1phase

0.0114329

158.37

Dmolar

19746.5

P

0.0114305

DmolarP

INCONSISTENT

1phase

0.000742747

158.37

Dmolar

19746.5

P

0.00074157

DmolarP

INCONSISTENT

1phase

0.0888467

158.37

Dmolar

19746.5

P

0.0888501

DmolarP

INCONSISTENT

1phase

0.348577

183.582

Dmolar

19199.9

P

0.348577

DmolarP

INCONSISTENT

1phase

0.348577

170.976

Dmolar

19462.5

P

0.348581

DmolarSmolar

EXCEPTION

1phase

0.000742747

158.37

Dmolar

19746.5

Smolar

-79.7807

D < DLtriple -79.7807 -79.5051

DmolarSmolar

EXCEPTION

1phase

2518.09

158.37

Dmolar

19746.5

Smolar

-79.7807

D < DLtriple -79.7807 -79.5052

DmolarSmolar

EXCEPTION

1phase

4987.69

158.371

Dmolar

19746.5

Smolar

-79.7807

D < DLtriple -79.7807 -79.5053

DmolarSmolar

EXCEPTION

1phase

9879.35

158.371

Dmolar

19746.6

Smolar

-79.7806

D < DLtriple -79.7806 -79.5055

DmolarSmolar

EXCEPTION

1phase

19568.5

158.373

Dmolar

19746.6

Smolar

-79.7805

D < DLtriple -79.7805 -79.5059

DmolarSmolar

EXCEPTION

1phase

38760.2

158.375

Dmolar

19746.8

Smolar

-79.7803

D < DLtriple -79.7803 -79.5067

DmolarSmolar

EXCEPTION

1phase

76774

158.381

Dmolar

19747

Smolar

-79.7799

D < DLtriple -79.7799 -79.5083

DmolarSmolar

EXCEPTION

1phase

152070

158.391

Dmolar

19747.6

Smolar

-79.7792

D < DLtriple -79.7792 -79.5114

DmolarSmolar

EXCEPTION

1phase

301212

158.411

Dmolar

19748.6

Smolar

-79.7777

D < DLtriple -79.7777 -79.5176

DmolarSmolar

EXCEPTION

1phase

596623

158.452

Dmolar

19750.6

Smolar

-79.7747

D < DLtriple -79.7747 -79.5299

DmolarSmolar

EXCEPTION

1phase

1.18176e+06

158.532

Dmolar

19754.7

Smolar

-79.7689

D < DLtriple -79.7689 -79.5542

DmolarSmolar

EXCEPTION

1phase

2.34076e+06

158.69

Dmolar

19762.7

Smolar

-79.7571

D < DLtriple -79.7571 -79.6022

DmolarSmolar

EXCEPTION

1phase

4.63646e+06

159.004

Dmolar

19778.3

Smolar

-79.7332

D < DLtriple -79.7332 -79.6968

DmolarT

INCONSISTENT

1phase

0.000742747

158.37

Dmolar

19746.5

T

158.37

DmolarT

INCONSISTENT

1phase

0.00147119

158.37

Dmolar

19746.5

T

158.37

DmolarT

INCONSISTENT

2phase

0.000922009

160.1

Dmolar

19705.5

T

160.1

DmolarUmolar

EXCEPTION

1phase

0.000742747

158.37

Dmolar

19746.5

Umolar

-19918.5

D < DLtriple -19918.5 -19874.7

DmolarUmolar

EXCEPTION

1phase

4987.69

158.371

Dmolar

19746.5

Umolar

-19918.5

D < DLtriple -19918.5 -19874.8

DmolarUmolar

EXCEPTION

1phase

19568.5

158.373

Dmolar

19746.6

Umolar

-19918.4

D < DLtriple -19918.4 -19874.9

DmolarUmolar

EXCEPTION

1phase

38760.2

158.375

Dmolar

19746.8

Umolar

-19918.4

D < DLtriple -19918.4 -19875

DmolarUmolar

EXCEPTION

1phase

76774

158.381

Dmolar

19747

Umolar

-19918.4

D < DLtriple -19918.4 -19875.2

DmolarUmolar

EXCEPTION

1phase

152070

158.391

Dmolar

19747.6

Umolar

-19918.2

D < DLtriple -19918.2 -19875.7

DmolarUmolar

EXCEPTION

1phase

301212

158.411

Dmolar

19748.6

Umolar

-19918

D < DLtriple -19918 -19876.7

DmolarUmolar

EXCEPTION

1phase

596623

158.452

Dmolar

19750.6

Umolar

-19917.5

D < DLtriple -19917.5 -19878.7

DmolarUmolar

EXCEPTION

1phase

1.18176e+06

158.532

Dmolar

19754.7

Umolar

-19916.6

D < DLtriple -19916.6 -19882.5

DmolarUmolar

EXCEPTION

1phase

2.34076e+06

158.69

Dmolar

19762.7

Umolar

-19914.7

D < DLtriple -19914.7 -19890.1

DmolarUmolar

EXCEPTION

1phase

4.63646e+06

159.004

Dmolar

19778.3

Umolar

-19910.8

D < DLtriple -19910.8 -19905

DmolarUmolar

INCONSISTENT

1phase

0.0114329

170.976

Dmolar

19462.5

Umolar

-18848.6

HmolarP

INCONSISTENT

1phase

0.00147119

158.37

Hmolar

-19918.5

P

0.00147633

HmolarSmolar

EXCEPTION

1phase

0.000742747

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134854,1001460.404681]

HmolarSmolar

EXCEPTION

1phase

0.00291406

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134854,1001460.404680]

HmolarSmolar

EXCEPTION

1phase

0.00577201

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134853,1001460.404680]

HmolarSmolar

EXCEPTION

1phase

0.0114329

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134853,1001460.404679]

HmolarSmolar

EXCEPTION

1phase

0.0226456

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134852,1001460.404678]

HmolarSmolar

EXCEPTION

1phase

0.0448552

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134851,1001460.404675]

HmolarSmolar

EXCEPTION

1phase

0.0888467

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134849,1001460.404668]

HmolarSmolar

EXCEPTION

1phase

0.175983

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134843,1001460.404656]

HmolarSmolar

EXCEPTION

1phase

0.348577

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134833,1001460.404631]

HmolarSmolar

EXCEPTION

1phase

0.690442

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134813,1001460.404582]

HmolarSmolar

EXCEPTION

1phase

1.36759

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134773,1001460.404486]

HmolarSmolar

EXCEPTION

1phase

2.70885

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134694,1001460.404294]

HmolarSmolar

EXCEPTION

1phase

5.36554

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134537,1001460.403915]

HmolarSmolar

EXCEPTION

1phase

10.6278

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.134227,1001460.403164]

HmolarSmolar

EXCEPTION

1phase

21.0509

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.133612,1001460.401677]

HmolarSmolar

EXCEPTION

1phase

41.6965

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.132394,1001460.398730]

HmolarSmolar

EXCEPTION

1phase

82.5901

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.129981,1001460.392894]

HmolarSmolar

EXCEPTION

1phase

163.59

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.125202,1001460.381335]

HmolarSmolar

EXCEPTION

1phase

324.03

158.37

Hmolar

-19918.5

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.115736,1001460.358438]

HmolarSmolar

EXCEPTION

1phase

641.821

158.37

Hmolar

-19918.4

Smolar

-79.7807

Inputs in Brent [159.600000,656.500000] do not bracket the root. Function values are [536.096985,1001460.313085]

HmolarSmolar

INCONSISTENT

2phase

0.0383217

178.711

Hmolar

-18171.1

Smolar

-69.4074

HmolarSmolar

INCONSISTENT

2phase

0.000922009

160.1

Hmolar

-19775.3

Smolar

-78.8815

PSmolar

INCONSISTENT

1phase

0.000742747

158.37

P

0.00074157

Smolar

-79.7807

PSmolar

INCONSISTENT

1phase

0.00147119

158.37

P

0.00147633

Smolar

-79.7807

PT

INCONSISTENT

1phase

0.00147119

158.37

P

0.00147633

T

158.37

PT

INCONSISTENT

1phase

0.00291406

158.37

P

0.00291271

T

158.37

PUmolar

INCONSISTENT

1phase

0.00147119

158.37

P

0.00147633

Umolar

-19918.5

SmolarT

INCONSISTENT

1phase

0.0448552

170.976

Smolar

-73.2825

T

170.976

SmolarT

INCONSISTENT

1phase

0.000742747

158.37

Smolar

-79.7807

T

158.37

SmolarT

INCONSISTENT

1phase

0.0226456

170.976

Smolar

-73.2825

T

170.976

SmolarT

INCONSISTENT

1phase

0.00147119

158.37

Smolar

-79.7807

T

158.37

SmolarT

INCONSISTENT

1phase

0.00291406

158.37

Smolar

-79.7807

T

158.37

SmolarT

INCONSISTENT

1phase

0.0114329

170.976

Smolar

-73.2825

T

170.976

SmolarT

INCONSISTENT

1phase

0.000742747

612.182

Smolar

318.641

T

612.182

SmolarT

INCONSISTENT

1phase

0.000742747

599.576

Smolar

316.375

T

599.576

SmolarT

INCONSISTENT

1phase

0.000742747

624.788

Smolar

320.89

T

624.788

SmolarT

INCONSISTENT

1phase

0.000742747

586.971

Smolar

314.092

T

586.971

SmolarT

INCONSISTENT

1phase

0.000742747

637.394

Smolar

323.122

T

637.394

SmolarT

INCONSISTENT

1phase

0.000742747

574.365

Smolar

311.791

T

574.365

SmolarT

INCONSISTENT

1phase

0.000742747

650

Smolar

325.336

T

650

SmolarT

INCONSISTENT

1phase

0.00577201

158.37

Smolar

-79.7807

T

158.37

SmolarT

INCONSISTENT

1phase

0.0888467

158.37

Smolar

-79.7807

T

158.37

SmolarT

INCONSISTENT

1phase

0.00147119

650

Smolar

319.653

T

650

SmolarT

INCONSISTENT

1phase

0.348577

158.37

Smolar

-79.7807

T

158.37

SmolarT

INCONSISTENT

1phase

0.175983

158.37

Smolar

-79.7807

T

158.37

SmolarT

INCONSISTENT

1phase

0.00147119

637.394

Smolar

317.439

T

637.394

SmolarT

INCONSISTENT

1phase

0.00147119

624.788

Smolar

315.207

T

624.788

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/Ethanol2.png