Chemical Properties of Fumaric acid, 2-octyl hex-4-yn-3-yl ester

Fumaric acid, 2-octyl hex-4-yn-3-yl ester

InChI
InChI=1S/C18H28O4/c1-5-8-9-10-12-15(4)21-17(19)13-14-18(20)22-16(7-3)11-6-2/h13-16H,5,7-10,12H2,1-4H3/b14-13+
InChI Key
UYFCAVVQALYUJP-BUHFOSPRSA-N
Formula
C18H28O4
SMILES
CC#CC(CC)OC(=O)/C=C/C(=O)OC(C)CCCCCC
Molecular Weight1
308.42
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 47.39 kJ/mol Joback Calculated Property
logPoct/wat 3.790 Crippen Calculated Property
McVol 266.460 ml/mol McGowan Calculated Property
Inp [2066.00; 2066.00]   Show Hide
Inp 2066.00 NIST
Inp 2066.00 NIST
Tboil 569.60 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [388.47; 873.56] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.73560e+01
Coefficient B1.48628e+00
Coefficient C-7.64260e-04
Coefficient D1.14180e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 388.47 J/mol×K 273.00 Calculated Property
Cp,gas 472.57 J/mol×K 353.78 Calculated Property
Cp,gas 548.28 J/mol×K 434.56 Calculated Property
Cp,gas 615.95 J/mol×K 515.33 Calculated Property
Cp,gas 675.95 J/mol×K 596.11 Calculated Property
Cp,gas 728.65 J/mol×K 676.89 Calculated Property
Cp,gas 774.39 J/mol×K 757.67 Calculated Property
Cp,gas 813.55 J/mol×K 838.44 Calculated Property
Cp,gas 846.49 J/mol×K 919.22 Calculated Property
Cp,gas 873.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 4-octyl hex-4-yn-3-yl ester. Fumaric acid, 2-octyl tridec-2-yn-1-yl ester. Fumaric acid, 2-octyl hept-2-yl ester. Fumaric acid, di(2-decyl) ester. Fumaric acid, 2-pentyl dec-2-yl ester. Fumaric acid, 2-pentyl tridec-2-yn-1-yl ester. Succinic acid, 2-octyl 3-hex-4-ynyl ester. Fumaric acid, di(2-heptyl) ester. Fumaric acid, 2-pentyl hept-2-yl ester. Glutaric acid, dec-2-yl hex-4-yn-3-yl ester. Fumaric acid, 4-octyl hept-2-yl ester. Glutaric acid, hept-2-yl hex-4-yn-3-yl ester. Fumaric acid, 2-ethylhexyl hex-4-yn-3-yl ester. Succinic acid, hex-4-yn-3-yl 2-hexyl ester. Fumaric acid, 2-pentyl but-3-yn-2-yl ester.

Find more compounds similar to Fumaric acid, 2-octyl hex-4-yn-3-yl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.