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

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

InChI
InChI=1S/C12H18Cl2O4/c1-9(2)6-7-17-11(15)4-3-5-12(16)18-8-10(13)14/h6,10H,3-5,7-8H2,1-2H3
InChI Key
FWPWPOKNRKZFII-UHFFFAOYSA-N
Formula
C12H18Cl2O4
SMILES
CC(C)=CCOC(=O)CCCC(=O)OCC(Cl)Cl
Molecular Weight1
297.18
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Physical Properties

Property Value Unit Source
ΔfH°gas -869.18 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.34 kJ/mol Joback Calculated Property
ΔvapH° 83.84 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.013 Crippen Calculated Property
McVol 215.000 ml/mol McGowan Calculated Property
Inp [1871.00; 1871.00]   Show Hide
Inp 1871.00 NIST
Inp 1871.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 [305.37; 640.86] 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 A5.30250e+01
Coefficient B1.07364e+00
Coefficient C-5.69900e-04
Coefficient D8.41000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 305.37 J/mol×K 273.00 Calculated Property
Cp,gas 365.25 J/mol×K 353.78 Calculated Property
Cp,gas 418.86 J/mol×K 434.56 Calculated Property
Cp,gas 466.47 J/mol×K 515.33 Calculated Property
Cp,gas 508.34 J/mol×K 596.11 Calculated Property
Cp,gas 544.73 J/mol×K 676.89 Calculated Property
Cp,gas 575.91 J/mol×K 757.67 Calculated Property
Cp,gas 602.15 J/mol×K 838.44 Calculated Property
Cp,gas 623.71 J/mol×K 919.22 Calculated Property
Cp,gas 640.87 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, di(3-methylbut-2-enyl) ester. Glutaric acid, ethyl 3-methylbut-2-enyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2-fluoroethyl ester. Glutaric acid, 3-methylbut-2-enyl propyl ester. valeric acid, 3-methylbut-2-enyl ester. Glutaric acid, 3-methylbut-2-en-1-yl isopropyl ester. Glutaric acid, butyl 3-methylbut-2-enyl ester. Succinic acid, 3-methylbut-2-en-1-yl 2,2,2-trichloroethyl ester. Sebacic acid, di(3-methylbut-2-enyl) ester. Glutaric acid, 3-methylbut-2-en-1-yl neopentyl ester. Glutaric acid, 3-methylbut-2-en-1-yl but-3-en-1-yl ester. Hexanoic acid, 3-methyl-2-butenyl ester. Glutaric acid, isobutyl 3-methylbut-2-enyl ester. Butanoic acid, 3-methylbut-2-enyl ester. 5-chlorovaleric acid, 3-methylbut-2-enyl ester.

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

Sources

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