Chemical Properties of Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester

Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester

InChI
InChI=1S/C24H32O4/c1-17(2)9-8-14-27-23(25)20-10-7-11-21(16-20)24(26)28-22(15-19(5)6)13-12-18(3)4/h7,10-11,16-17,19,22H,3,8-9,14-15H2,1-2,4-6H3
InChI Key
RCRDNQVBUCCUPR-UHFFFAOYSA-N
Formula
C24H32O4
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc(C(=O)OCCCC(C)C)c1
Molecular Weight1
384.52
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° 50.27 kJ/mol Joback Calculated Property
log10WS -6.29 Relay (1.0) Calculated Property
logPoct/wat 5.431 Crippen Calculated Property
McVol 327.240 ml/mol McGowan Calculated Property
Inp [2662.00; 2662.00]   Show Hide
Inp 2662.00 NIST
Inp 2662.00 NIST
Tboil 648.18 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 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 [465.08; 1063.87] 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 A2.21140e+01
Coefficient B1.88370e+00
Coefficient C-9.99420e-04
Coefficient D1.57480e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 465.08 J/mol×K 273.00 Calculated Property
Cp,gas 570.41 J/mol×K 353.78 Calculated Property
Cp,gas 664.88 J/mol×K 434.56 Calculated Property
Cp,gas 748.99 J/mol×K 515.33 Calculated Property
Cp,gas 823.22 J/mol×K 596.11 Calculated Property
Cp,gas 888.10 J/mol×K 676.89 Calculated Property
Cp,gas 944.10 J/mol×K 757.67 Calculated Property
Cp,gas 991.73 J/mol×K 838.44 Calculated Property
Cp,gas 1031.49 J/mol×K 919.22 Calculated Property
Cp,gas 1063.87 J/mol×K 1000.00 Calculated Property

Similar Compounds

Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl pentyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl hexyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl heptyl ester. Isophthalic acid, butyl 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl propyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ethyl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isobutyl ester. Isophthalic acid, isohexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl pentyl ester. Isophthalic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester. Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) ester. Isophthalic acid, hexyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. Isophthalic acid, heptyl 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl 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.