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

1-Adamantanecarboxylic acid, 4-chlorophenyl ester

InChI
InChI=1S/C17H19ClO2/c18-14-1-3-15(4-2-14)20-16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2
InChI Key
BRFGISNTQUMEQO-UHFFFAOYSA-N
Formula
C17H19ClO2
SMILES
O=C(Oc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
Molecular Weight1
290.79
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Physical Properties

Property Value Unit Source
ΔfH°gas -416.45 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.08 kJ/mol Joback Calculated Property
IE 8.51 eV Relay (1.0) Calculated Property
logPoct/wat 4.462 Crippen Calculated Property
McVol 213.730 ml/mol McGowan Calculated Property
Inp [2230.00; 2230.00]   Show Hide
Inp 2230.00 NIST
Inp 2230.00 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 [633.90; 739.25] J/mol×K [735.93; 983.44] Show Hide
Cp,gas 633.90 J/mol×K 735.93 Joback Calculated Property
Cp,gas 653.00 J/mol×K 777.18 Joback Calculated Property
Cp,gas 671.10 J/mol×K 818.43 Joback Calculated Property
Cp,gas 688.49 J/mol×K 859.69 Joback Calculated Property
Cp,gas 705.45 J/mol×K 900.94 Joback Calculated Property
Cp,gas 722.28 J/mol×K 942.19 Joback Calculated Property
Cp,gas 739.25 J/mol×K 983.44 Joback Calculated Property

Similar Compounds

1-Adamantanecarboxylic acid, 3,4-dichlorophenyl ester. 1-Adamantanecarboxylic acid, 4-methoxyphenyl ester. 1-Adamantanecarboxylic acid, 2-naphthyl ester. 1-Adamantanecarboxylic acid, 4-cyanophenyl ester. 1-Adamantanecarboxylic acid, 3-methylphenyl ester. 1-Adamantanecarboxylic acid, 4-nitrophenyl ester. Cyclopentanecarboxylic acid, 4-chlorophenyl ester. Cyclohexanecarboxylic acid, 3,4-dichlorophenyl ester. 3-Cyclopentylpropionic acid, 4-chlorophenyl ester. 2-Methylvaleric acid, 4-chlorophenyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chlorophenyl ethyl ester. Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans-. 1,2-Cyclohexanedicarboxylic acid, di(3-chlorophenyl) ester. Cyclopentanecarboxylic acid, 3,4-dichlorophenyl ester. Cyclohexanecarboxylic acid, 2,4,5-trichlorophenyl ester.

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

Sources

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