Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 3-methylphenyl ester

Glutaric acid, 3-methylbut-2-en-1-yl 3-methylphenyl ester

InChI
InChI=1S/C17H22O4/c1-13(2)10-11-20-16(18)8-5-9-17(19)21-15-7-4-6-14(3)12-15/h4,6-7,10,12H,5,8-9,11H2,1-3H3
InChI Key
FZLXNBGTVQHBPA-UHFFFAOYSA-N
Formula
C17H22O4
SMILES
CC(C)=CCOC(=O)CCCC(=O)Oc1cccc(C)c1
Molecular Weight1
290.35
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° 41.07 kJ/mol Joback Calculated Property
IE 8.13 eV Relay (1.0) Calculated Property
log10WS -4.17 Relay (1.0) Calculated Property
logPoct/wat 3.580 Crippen Calculated Property
McVol 237.210 ml/mol McGowan Calculated Property
Inp [2155.00; 2155.00]   Show Hide
Inp 2155.00 NIST
Inp 2155.00 NIST
Tboil 620.32 K Relay (1.0) Calculated Property
Tfus 288.96 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [330.23; 760.17] 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 A4.77400e+00
Coefficient B1.39076e+00
Coefficient C-7.62060e-04
Coefficient D1.26700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 330.23 J/mol×K 273.00 Calculated Property
Cp,gas 407.03 J/mol×K 353.78 Calculated Property
Cp,gas 475.63 J/mol×K 434.56 Calculated Property
Cp,gas 536.44 J/mol×K 515.33 Calculated Property
Cp,gas 589.86 J/mol×K 596.11 Calculated Property
Cp,gas 636.30 J/mol×K 676.89 Calculated Property
Cp,gas 676.15 J/mol×K 757.67 Calculated Property
Cp,gas 709.81 J/mol×K 838.44 Calculated Property
Cp,gas 737.68 J/mol×K 919.22 Calculated Property
Cp,gas 760.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 3-methylbut-2-en 2-chloro-5-methylphenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 3-ethylphenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 5-methyl-2-methoxybenzyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,3-dimethylphenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2-methyl-4-chlorophenyl ester. Glutaric acid, ethyl 3-methylphenyl ester. Glutaric acid, 3-methylphenyl propyl ester. Glutaric acid, 2,2-dichloroethyl 3-methylphenyl ester. Glutaric acid, isobutyl 3-methylphenyl ester. Glutaric acid, butyl 3-methylphenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 3-chlorophenyl ester. Succinic acid, 3-methylbut-2-en-1-yl 3-ethylphenyl ester. Sebacic acid, ethyl 3-methylphenyl ester. Succinic acid, 3-methylbut-2-en-1-yl 2,3-dimethylphenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 4-bromophenyl ester.

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 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.