Chemical Properties of Fumaric acid, 4-cyanophenyl cyclohexylmethyl ester

Fumaric acid, 4-cyanophenyl cyclohexylmethyl ester

InChI
InChI=1S/C18H19NO4/c19-12-14-6-8-16(9-7-14)23-18(21)11-10-17(20)22-13-15-4-2-1-3-5-15/h6-11,15H,1-5,13H2/b11-10+
InChI Key
PSFQKRQWOREWNQ-ZHACJKMWSA-N
Formula
C18H19NO4
SMILES
N#Cc1ccc(OC(=O)C=CC(=O)OCC2CCCCC2)cc1
Molecular Weight1
313.35
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Physical Properties

Property Value Unit Source
ΔfusH° 38.31 kJ/mol Joback Calculated Property
logPoct/wat 3.143 Crippen Calculated Property
McVol 241.820 ml/mol McGowan Calculated Property
Inp [2602.00; 2602.00]   Show Hide
Inp 2602.00 NIST
Inp 2602.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [314.55; 773.59] 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 A-4.50490e+01
Coefficient B1.54270e+00
Coefficient C-8.64160e-04
Coefficient D1.40100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 314.55 J/mol×K 273.00 Calculated Property
Cp,gas 398.77 J/mol×K 353.78 Calculated Property
Cp,gas 473.65 J/mol×K 434.56 Calculated Property
Cp,gas 539.64 J/mol×K 515.33 Calculated Property
Cp,gas 597.17 J/mol×K 596.11 Calculated Property
Cp,gas 646.70 J/mol×K 676.89 Calculated Property
Cp,gas 688.66 J/mol×K 757.67 Calculated Property
Cp,gas 723.50 J/mol×K 838.44 Calculated Property
Cp,gas 751.66 J/mol×K 919.22 Calculated Property
Cp,gas 773.59 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 4-cyanophenyl 2-ethylhexyl ester. Fumaric acid, 4-bromophenyl cyclohexylmethyl ester. Fumaric acid, 4-methoxyphenyl 2-ethylhexyl ester. Fumaric acid, 4-bromophenyl 2-ethylhexyl ester. Fumaric acid, naphth-2-yl 2-ethylhexyl ester. Fumaric acid, 2-ethylhexyl 2-fluorophenyl ester. Fumaric acid, 2-methoxyphenyl cyclohexylmethyl ester. Fumaric acid, naphth-1-yl 2-ethylhexyl ester. Fumaric acid, 4-nitrophenyl 2-ethylhexyl ester. Fumaric acid, 3-chlorophenyl 2-ethylhexyl ester. Fumaric acid, 2-methoxyphenyl 2-ethylhexyl ester. Fumaric acid, 2-methylpentyl 2-fluorophenyl ester. Fumaric acid, 2,4-dichlorophenyl 2-ethylhexyl ester. Fumaric acid, 2-chlorophenyl 2-ethylhexyl ester. Fumaric acid, 3,5-dimethylphenyl cyclohexylmethyl ester.

Find more compounds similar to Fumaric acid, 4-cyanophenyl cyclohexylmethyl ester.

Sources

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