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

Benzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester

InChI
InChI=1S/C22H20O3/c1-16(17-9-5-3-6-10-17)20-15-19(24-2)13-14-21(20)25-22(23)18-11-7-4-8-12-18/h3-16H,1-2H3
InChI Key
VHBZEMZRVWNDBY-UHFFFAOYSA-N
Formula
C22H20O3
SMILES
COc1ccc(OC(=O)c2ccccc2)c(C(C)c2ccccc2)c1
Molecular Weight1
332.39
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Physical Properties

Property Value Unit Source
ΔfH°gas -220.87 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.12 kJ/mol Joback Calculated Property
ΔvapH° 116.41 kJ/mol Relay (1.0) Calculated Property
IE 7.86 eV Relay (1.0) Calculated Property
log10WS -5.51 Relay (1.0) Calculated Property
logPoct/wat 5.066 Crippen Calculated Property
McVol 262.870 ml/mol McGowan Calculated Property
Inp [2632.00; 2632.00]   Show Hide
Inp 2632.00 NIST
Inp 2632.00 NIST
Tboil 680.18 K Relay (1.0) Calculated Property
Tfus 336.50 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 [779.44; 845.28] J/mol×K [873.16; 1121.13] Show Hide
Cp,gas 779.44 J/mol×K 873.16 Joback Calculated Property
Cp,gas 794.26 J/mol×K 914.49 Joback Calculated Property
Cp,gas 807.45 J/mol×K 955.82 Joback Calculated Property
Cp,gas 819.07 J/mol×K 997.15 Joback Calculated Property
Cp,gas 829.21 J/mol×K 1038.47 Joback Calculated Property
Cp,gas 837.92 J/mol×K 1079.80 Joback Calculated Property
Cp,gas 845.28 J/mol×K 1121.13 Joback Calculated Property
η [0.0000368; 0.0004978] Pa×s [491.56; 873.16] Show Hide
η 0.0004978 Pa×s 491.56 Joback Calculated Property
η 0.0002515 Pa×s 555.16 Joback Calculated Property
η 0.0001462 Pa×s 618.76 Joback Calculated Property
η 0.0000940 Pa×s 682.36 Joback Calculated Property
η 0.0000652 Pa×s 745.96 Joback Calculated Property
η 0.0000479 Pa×s 809.56 Joback Calculated Property
η 0.0000368 Pa×s 873.16 Joback Calculated Property

Similar Compounds

3-Chlorobenzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester. 3,4-Difluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 3-Chloro-2-fluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 2,4-Difluorobenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 2,5-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-5-trifluoromethylbenzoic acid, 2-(1-phenyleth-1-yl)-4-methoxyphenyl ester. 3-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. 2-Fluoro-6-trifluoromethylbenzoic 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 Benzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester.

Sources

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