Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2,6-dichlorophenyl ester

Glutaric acid, 3-methylbut-2-en-1-yl 2,6-dichlorophenyl ester

InChI
InChI=1S/C16H18Cl2O4/c1-11(2)9-10-21-14(19)7-4-8-15(20)22-16-12(17)5-3-6-13(16)18/h3,5-6,9H,4,7-8,10H2,1-2H3
InChI Key
PYQWPRGJYOYZPM-UHFFFAOYSA-N
Formula
C16H18Cl2O4
SMILES
CC(C)=CCOC(=O)CCCC(=O)Oc1c(Cl)cccc1Cl
Molecular Weight1
345.22
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° 46.48 kJ/mol Joback Calculated Property
IE 8.37 eV Relay (1.0) Calculated Property
logPoct/wat 4.579 Crippen Calculated Property
McVol 247.600 ml/mol McGowan Calculated Property
Inp [2378.00; 2378.00]   Show Hide
Inp 2378.00 NIST
Inp 2378.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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 [338.38; 722.08] 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 A4.57640e+01
Coefficient B1.24984e+00
Coefficient C-6.81420e-04
Coefficient D1.07900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 338.38 J/mol×K 273.00 Calculated Property
Cp,gas 407.42 J/mol×K 353.78 Calculated Property
Cp,gas 469.06 J/mol×K 434.56 Calculated Property
Cp,gas 523.65 J/mol×K 515.33 Calculated Property
Cp,gas 571.52 J/mol×K 596.11 Calculated Property
Cp,gas 613.02 J/mol×K 676.89 Calculated Property
Cp,gas 648.48 J/mol×K 757.67 Calculated Property
Cp,gas 678.25 J/mol×K 838.44 Calculated Property
Cp,gas 702.67 J/mol×K 919.22 Calculated Property
Cp,gas 722.08 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 3-methylbut-2-en-1-yl 2,4-dichlorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,5-dichlorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2-chloro-6-fluorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,3,5-trichlorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 3-chlorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,4,5-trichlorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,4-dichloro-1-naphthyl ester. Glutaric acid, 2,6-dichlorophenyl ethyl ester. Glutaric acid, pent-2-en-1-yl 2,4,6-trichlorophenyl ester. Succinic acid, 3-methylbut-2-en-1-yl 2,4,6-trichlorophenyl ester. Succinic acid, 3-methylbut-2-en-1-yl 2-chlorophenyl ester. Glutaric acid, 3-methylbut-2-en 2-chloro-5-methylphenyl ester. Glutaric acid, hex-2-en-1-yl 2,4,6-trichlorophenyl ester. Glutaric acid, pent-2-en-1-yl 2,3-dichlorophenyl ester. Glutaric acid, 2,6-dichlorophenyl propyl ester.

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2,6-dichlorophenyl 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.