Chemical Properties of 3-Chlorobenzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester

3-Chlorobenzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester

InChI
InChI=1S/C22H19ClO3/c1-15(16-7-4-3-5-8-16)20-14-19(25-2)11-12-21(20)26-22(24)17-9-6-10-18(23)13-17/h3-15H,1-2H3
InChI Key
IAVPSAAYWBLORH-UHFFFAOYSA-N
Formula
C22H19ClO3
SMILES
COc1ccc(OC(=O)c2cccc(Cl)c2)c(C(C)c2ccccc2)c1
Molecular Weight1
366.84
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Physical Properties

Property Value Unit Source
ΔfusH° 38.34 kJ/mol Joback Calculated Property
IE 7.96 eV Relay (1.0) Calculated Property
logPoct/wat 5.720 Crippen Calculated Property
McVol 275.110 ml/mol McGowan Calculated Property
Inp [2794.00; 2794.00]   Show Hide
Inp 2794.00 NIST
Inp 2794.00 NIST
Tboil 693.01 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [804.78; 860.39] J/mol×K [933.44; 1185.53] Show Hide
Cp,gas 804.78 J/mol×K 933.44 Joback Calculated Property
Cp,gas 817.65 J/mol×K 975.46 Joback Calculated Property
Cp,gas 829.00 J/mol×K 1017.47 Joback Calculated Property
Cp,gas 838.88 J/mol×K 1059.49 Joback Calculated Property
Cp,gas 847.36 J/mol×K 1101.50 Joback Calculated Property
Cp,gas 854.51 J/mol×K 1143.52 Joback Calculated Property
Cp,gas 860.39 J/mol×K 1185.53 Joback Calculated Property
η [0.0000375; 0.0003141] Pa×s [563.83; 933.44] Show Hide
η 0.0003141 Pa×s 563.83 Joback Calculated Property
η 0.0001851 Pa×s 625.43 Joback Calculated Property
η 0.0001199 Pa×s 687.03 Joback Calculated Property
η 0.0000834 Pa×s 748.63 Joback Calculated Property
η 0.0000613 Pa×s 810.24 Joback Calculated Property
η 0.0000471 Pa×s 871.84 Joback Calculated Property
η 0.0000375 Pa×s 933.44 Joback Calculated Property

Similar Compounds

Benzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 3,4-Difluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 4-Fluoro-2-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 3-Fluoro-6-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 2,5-Difluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 2,4-Difluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 3-Fluoro-5-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 2-Fluoro-6-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 2,4,5-Trifluoro-3-methoxybenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. Sertraline, nor, acetyl. narwedine. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. Sertraline.

Find more compounds similar to 3-Chlorobenzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester.

Sources

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