Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 2-chlorophenyl ester

Succinic acid, 3-methylbut-2-en-1-yl 2-chlorophenyl ester

InChI
InChI=1S/C15H17ClO4/c1-11(2)9-10-19-14(17)7-8-15(18)20-13-6-4-3-5-12(13)16/h3-6,9H,7-8,10H2,1-2H3
InChI Key
WGXLXGARBQESNU-UHFFFAOYSA-N
Formula
C15H17ClO4
SMILES
CC(C)=CCOC(=O)CCC(=O)Oc1ccccc1Cl
Molecular Weight1
296.75
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° 40.08 kJ/mol Joback Calculated Property
IE 8.36 eV Relay (1.0) Calculated Property
log10WS -4.36 Relay (1.0) Calculated Property
logPoct/wat 3.535 Crippen Calculated Property
McVol 221.270 ml/mol McGowan Calculated Property
Inp [2129.00; 2129.00]   Show Hide
Inp 2129.00 NIST
Inp 2129.00 NIST
Tfus 309.33 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [301.21; 665.26] 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 A1.94830e+01
Coefficient B1.20754e+00
Coefficient C-6.73660e-04
Coefficient D1.11900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 301.21 J/mol×K 273.00 Calculated Property
Cp,gas 367.32 J/mol×K 353.78 Calculated Property
Cp,gas 426.20 J/mol×K 434.56 Calculated Property
Cp,gas 478.18 J/mol×K 515.33 Calculated Property
Cp,gas 523.63 J/mol×K 596.11 Calculated Property
Cp,gas 562.90 J/mol×K 676.89 Calculated Property
Cp,gas 596.35 J/mol×K 757.67 Calculated Property
Cp,gas 624.32 J/mol×K 838.44 Calculated Property
Cp,gas 647.17 J/mol×K 919.22 Calculated Property
Cp,gas 665.26 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, 3-methylbut-2-en-1-yl 3-chlorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,4-dichlorophenyl ester. Succinic acid, 2,3-dichlorophenyl but-2-en-1-yl ester. Succinic acid, 3-methylbut-2-en-1-yl 2,4,6-trichlorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,5-dichlorophenyl ester. Succinic acid, 3-methylbut-2-en-1-yl 2-chloro-4-methylphenyl ester. Succinic acid, 3-chlorophenyl but-2-en-1-yl ester. Succinic acid, 3-methylbut-2-en-1-yl 3,5-dichlorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 3-chlorophenyl ester. Succinic acid, 2,3-dichlorophenyl cis-pent-2-en-1-yl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-methylbut-2-en-1-yl ester. Succinic acid, 3-methylbut-2-en-1-yl 3-fluorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,6-dichlorophenyl ester. Succinic acid, 3-methylbut-2-en-1-yl 4-chloro-2-methoxyphenyl ester. Succinic acid, 3-methylbut-2-en-1-yl 3-methoxyphenyl ester.

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