Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isobutyl 3-methylphenyl ester

1,2-Cyclohexanedicarboxylic acid, isobutyl 3-methylphenyl ester

InChI
InChI=1S/C19H26O4/c1-13(2)12-22-18(20)16-9-4-5-10-17(16)19(21)23-15-8-6-7-14(3)11-15/h6-8,11,13,16-17H,4-5,9-10,12H2,1-3H3
InChI Key
GURBRHLBHWXHDO-UHFFFAOYSA-N
Formula
C19H26O4
SMILES
Cc1cccc(OC(=O)C2CCCCC2C(=O)OCC(C)C)c1
Molecular Weight1
318.41
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° 36.74 kJ/mol Joback Calculated Property
IE 8.55 eV Relay (1.0) Calculated Property
log10WS -4.72 Relay (1.0) Calculated Property
logPoct/wat 3.906 Crippen Calculated Property
McVol 258.830 ml/mol McGowan Calculated Property
Inp 2279.00 NIST
Tboil 639.86 K Relay (1.0) Calculated Property
Tfus 324.50 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [805.14; 891.17] J/mol×K [796.86; 1017.24] Show Hide
Cp,gas 805.14 J/mol×K 796.86 Joback Calculated Property
Cp,gas 823.50 J/mol×K 833.59 Joback Calculated Property
Cp,gas 840.22 J/mol×K 870.32 Joback Calculated Property
Cp,gas 855.32 J/mol×K 907.05 Joback Calculated Property
Cp,gas 868.83 J/mol×K 943.78 Joback Calculated Property
Cp,gas 880.77 J/mol×K 980.51 Joback Calculated Property
Cp,gas 891.17 J/mol×K 1017.24 Joback Calculated Property
η [0.0000594; 0.0014504] Pa×s [415.63; 796.86] Show Hide
η 0.0014504 Pa×s 415.63 Joback Calculated Property
η 0.0005983 Pa×s 479.17 Joback Calculated Property
η 0.0003037 Pa×s 542.71 Joback Calculated Property
η 0.0001777 Pa×s 606.24 Joback Calculated Property
η 0.0001151 Pa×s 669.78 Joback Calculated Property
η 0.0000804 Pa×s 733.32 Joback Calculated Property
η 0.0000594 Pa×s 796.86 Joback Calculated Property

Similar Compounds

1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl propyl ester. 1,2-Cyclohexanedicarboxylic acid, butyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, isohexyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl nonyl ester. 1,2-Cyclohexanedicarboxylic acid, hexyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, heptyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, decyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl isobutyl ester. 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl isobutyl ester. 1,2-Cyclohexanedicarboxylic acid, ethyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl isobutyl ester.

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isobutyl 3-methylphenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.