Chemical Properties of Succinic acid, 2-methylhex-3-yl 4-nitrobenzyl ester

Succinic acid, 2-methylhex-3-yl 4-nitrobenzyl ester

InChI
InChI=1S/C18H25NO6/c1-4-5-16(13(2)3)25-18(21)11-10-17(20)24-12-14-6-8-15(9-7-14)19(22)23/h6-9,13,16H,4-5,10-12H2,1-3H3
InChI Key
GQODUCLWMWAXMQ-UHFFFAOYSA-N
Formula
C18H25NO6
SMILES
CCCC(OC(=O)CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(C)C
Molecular Weight1
351.39
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Physical Properties

Property Value Unit Source
ΔfusH° 49.08 kJ/mol Joback Calculated Property
IE 9.32 eV Relay (1.0) Calculated Property
logPoct/wat 3.786 Crippen Calculated Property
McVol 273.020 ml/mol McGowan Calculated Property
Inp [2557.00; 2557.00]   Show Hide
Inp 2557.00 NIST
Inp 2557.00 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 [391.84; 889.93] 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 A1.98650e+01
Coefficient B1.57702e+00
Coefficient C-8.15160e-04
Coefficient D1.08200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 391.84 J/mol×K 273.00 Calculated Property
Cp,gas 480.55 J/mol×K 353.78 Calculated Property
Cp,gas 560.11 J/mol×K 434.56 Calculated Property
Cp,gas 630.88 J/mol×K 515.33 Calculated Property
Cp,gas 693.20 J/mol×K 596.11 Calculated Property
Cp,gas 747.40 J/mol×K 676.89 Calculated Property
Cp,gas 793.83 J/mol×K 757.67 Calculated Property
Cp,gas 832.84 J/mol×K 838.44 Calculated Property
Cp,gas 864.75 J/mol×K 919.22 Calculated Property
Cp,gas 889.93 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, 2-methylhex-3-yl 3-nitrobenzyl ester. Succinic acid, 2-methylhex-3-yl 3-methyl-4-nitrobenzyl ester. Glutaric acid, 2-methylhex-3-yl 3-nitrobenzyl ester. Glutaric acid, 2-methylhex-3-yl 3-methyl-4-nitrobenzyl ester. Succinic acid, 2-methylpent-3-yl 3-nitrobenzyl ester. Succinic acid, 2-methylhex-3-yl 2-nitrobenzyl ester. Succinic acid, 4-bromobenzyl 2-methylhex-3-yl ester. Succinic acid, 4-iodobenzyl 2-methylhex-3-yl ester. Succinic acid, 4-methylbenzyl 2-methylhex-3-yl ester. Succinic acid, 2-methylhex-3-yl 4-trifluoromethylbenzyl ester. Succinic acid, 4-(chloromethyl)benzyl 2-methylhex-3-yl ester. Succinic acid, 3,5-dinitrobenzyl 2-methylhex-3-yl ester. Succinic acid, 2-methylhex-3-yl 4-methyl-3-nitrobenzyl ester. Succinic acid, 3-iodobenzyl 2-methylhex-3-yl ester. Succinic acid, 3-methoxy-4-nitrobenzyl 2-methylhex-3-yl ester.

Find more compounds similar to Succinic acid, 2-methylhex-3-yl 4-nitrobenzyl ester.

Sources

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