Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 2,4-dichlorophenyl ester

Glutaric acid, tridec-2-yn-1-yl 2,4-dichlorophenyl ester

InChI
InChI=1S/C24H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-18-29-23(27)14-13-15-24(28)30-22-17-16-20(25)19-21(22)26/h16-17,19H,2-10,13-15,18H2,1H3
InChI Key
OWBKMLCSACAMIT-UHFFFAOYSA-N
Formula
C24H32Cl2O4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1ccc(Cl)cc1Cl
Molecular Weight1
455.41
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Physical Properties

Property Value Unit Source
ΔfusH° 71.43 kJ/mol Joback Calculated Property
IE 8.54 eV Relay (1.0) Calculated Property
logPoct/wat 7.146 Crippen Calculated Property
McVol 356.020 ml/mol McGowan Calculated Property
Inp [3275.00; 3275.00]   Show Hide
Inp 3275.00 NIST
Inp 3275.00 NIST
Tboil 673.58 K Relay (1.0) Calculated Property
Tfus 316.00 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, 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 [505.04; 1104.54] 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 A6.99230e+01
Coefficient B1.84012e+00
Coefficient C-9.38380e-04
Coefficient D1.32880e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 505.04 J/mol×K 273.00 Calculated Property
Cp,gas 609.35 J/mol×K 353.78 Calculated Property
Cp,gas 703.26 J/mol×K 434.56 Calculated Property
Cp,gas 787.18 J/mol×K 515.33 Calculated Property
Cp,gas 861.53 J/mol×K 596.11 Calculated Property
Cp,gas 926.75 J/mol×K 676.89 Calculated Property
Cp,gas 983.23 J/mol×K 757.67 Calculated Property
Cp,gas 1031.41 J/mol×K 838.44 Calculated Property
Cp,gas 1071.71 J/mol×K 919.22 Calculated Property
Cp,gas 1104.54 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, tridec-2-yn-1-yl 2-chlorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 2,3,5-trichlorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 2-chloro-5-methylphenyl ester. Glutaric acid, tridec-2-yn-1-yl 4-chloro-2-methoxyphenyl ester. Succinic acid, tridec-2-yn-1-yl 2,4,5-trichlorophenyl ester. Succinic acid, tridec-2-yn-1-yl 3-chlorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methyl-4-chlorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 4-bromophenyl ester. Sebacic acid, 2,4-dichlorophenyl ethyl ester. Glutaric acid, tridec-2-yn-1-yl 3-fluorophenyl ester. Sebacic acid, 2,4-dichlorophenyl isobutyl ester. Sebacic acid, 2,4-dichlorophenyl propyl ester. Sebacic acid, butyl 2,4-dichlorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 2-bromo-4-fluorophenyl ester. Sebacic acid, 2,4-dichlorophenyl pentyl ester.

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2,4-dichlorophenyl ester.

Sources

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