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
Δfus 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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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [740.63; 795.99] J/mol×K [885.33; 1122.88] Show Hide
Cp,gas 740.63 J/mol×K 885.33 Joback Calculated Property
Cp,gas 753.41 J/mol×K 924.92 Joback Calculated Property
Cp,gas 764.70 J/mol×K 964.51 Joback Calculated Property
Cp,gas 774.55 J/mol×K 1004.10 Joback Calculated Property
Cp,gas 783.01 J/mol×K 1043.69 Joback Calculated Property
Cp,gas 790.14 J/mol×K 1083.29 Joback Calculated Property
Cp,gas 795.99 J/mol×K 1122.88 Joback 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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