Chemical Properties of 1-Adamantanecarboxylic acid, 4-cyanophenyl ester

1-Adamantanecarboxylic acid, 4-cyanophenyl ester

InChI
InChI=1S/C18H19NO2/c19-11-12-1-3-16(4-2-12)21-17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-10H2
InChI Key
XCBOWRSWXPITOO-UHFFFAOYSA-N
Formula
C18H19NO2
SMILES
N#Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Molecular Weight1
281.35
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Physical Properties

Property Value Unit Source
ΔfH°gas -265.32 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.40 kJ/mol Joback Calculated Property
IE 9.16 eV Relay (1.0) Calculated Property
logPoct/wat 3.680 Crippen Calculated Property
McVol 216.960 ml/mol McGowan Calculated Property
Inp 2362.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [696.88; 808.01] J/mol×K [841.33; 1092.36] Show Hide
Cp,gas 696.88 J/mol×K 841.33 Joback Calculated Property
Cp,gas 715.05 J/mol×K 883.17 Joback Calculated Property
Cp,gas 732.96 J/mol×K 925.01 Joback Calculated Property
Cp,gas 750.92 J/mol×K 966.85 Joback Calculated Property
Cp,gas 769.22 J/mol×K 1008.68 Joback Calculated Property
Cp,gas 788.15 J/mol×K 1050.52 Joback Calculated Property
Cp,gas 808.01 J/mol×K 1092.36 Joback Calculated Property

Similar Compounds

1-Adamantanecarboxylic acid, 4-methoxyphenyl ester. 1-Adamantanecarboxylic acid, 4-chlorophenyl ester. Cyclohexanecarboxylic acid, 4-cyanophenyl ester. 1-Adamantanecarboxylic acid, 3-methylphenyl ester. 1-Adamantanecarboxylic acid, 2-naphthyl ester. 1-Adamantanecarboxylic acid, 4-nitrophenyl ester. 1-Adamantanecarboxylic acid, 3,4-dichlorophenyl ester. Cyclopentanecarboxylic acid, 4-cyanophenyl ester. 3-Cyclopentylpropionic acid, 4-cyanophenyl ester. 1-Adamantanecarboxylic acid, 3,5-dimethylphenyl ester. 1-Adamantanecarboxylic acid , 4-benzyloxyphenyl ester. Diethylmalonic acid, di(4-cyanophenyl) ester. Cyclohexanecarboxylic acid, 4-methoxyphenyl ester. Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans-. 2-Ethylbutyric acid, 4-cyanophenyl ester.

Find more compounds similar to 1-Adamantanecarboxylic acid, 4-cyanophenyl ester.

Sources

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