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

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

InChI
InChI=1S/C17H30O4/c1-6-8-15(14(4)5)21-17(19)10-7-9-16(18)20-12-11-13(2)3/h11,14-15H,6-10,12H2,1-5H3
InChI Key
DBEDZZZYIKVQHA-UHFFFAOYSA-N
Formula
C17H30O4
SMILES
CCCC(OC(=O)CCCC(=O)OCC=C(C)C)C(C)C
Molecular Weight1
298.42
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Physical Properties

Property Value Unit Source
ΔfH°gas -939.37 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.37 kJ/mol Joback Calculated Property
ΔvapH° 84.05 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.034 Crippen Calculated Property
McVol 260.970 ml/mol McGowan Calculated Property
Inp [1889.00; 1889.00]   Show Hide
Inp 1889.00 NIST
Inp 1889.00 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 [384.31; 882.82] 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 A2.10160e+01
Coefficient B1.54100e+00
Coefficient C-8.04300e-04
Coefficient D1.25100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 384.31 J/mol×K 273.00 Calculated Property
Cp,gas 471.06 J/mol×K 353.78 Calculated Property
Cp,gas 549.05 J/mol×K 434.56 Calculated Property
Cp,gas 618.67 J/mol×K 515.33 Calculated Property
Cp,gas 680.32 J/mol×K 596.11 Calculated Property
Cp,gas 734.39 J/mol×K 676.89 Calculated Property
Cp,gas 781.28 J/mol×K 757.67 Calculated Property
Cp,gas 821.38 J/mol×K 838.44 Calculated Property
Cp,gas 855.10 J/mol×K 919.22 Calculated Property
Cp,gas 882.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 3-methylbut-2-en-1-yl 2-methylpent-3-yl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,4-dimethylpent-3-yl ester. Glutaric acid, 1-cyclopentylethyl 3-methylbut-2-en-1-yl ester. Glutaric acid, 2-norbornyl 3-methylbut-2-en-1-yl ester. Glutaric acid, 3-methylbut-2-en-1-yl hept-4-yl ester. Glutaric acid, 3-methylbut-2-en-1-yl 3-octyl ester. Glutaric acid, 3-methylbut-2-en cis-4-tert-butylcyclohexyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 4-methylpent-2-yl ester. Glutaric acid, dodec-2-en-1-yl 2-methylhex-3-yl ester. Glutaric acid, 3-methylbut-2-en-1-yl 3-methylbut-2-yl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2-decyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2-heptyl ester. Glutaric acid, 2-methylpent-3-yl 2-methylhex-3-yl ester. Glutaric acid, di(2-methylhex-3-yl) ester. Glutaric acid, 3-methylbut-2-yl 2-methylhex-3-yl ester.

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

Sources

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