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° 34.53 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 [784.17; 849.85] J/mol×K [891.03; 1140.32] Show Hide
Cp,gas 784.17 J/mol×K 891.03 Joback Calculated Property
Cp,gas 798.79 J/mol×K 932.58 Joback Calculated Property
Cp,gas 811.85 J/mol×K 974.13 Joback Calculated Property
Cp,gas 823.42 J/mol×K 1015.67 Joback Calculated Property
Cp,gas 833.57 J/mol×K 1057.22 Joback Calculated Property
Cp,gas 842.35 J/mol×K 1098.77 Joback Calculated Property
Cp,gas 849.85 J/mol×K 1140.32 Joback Calculated Property
η [0.0000423; 0.0004275] Pa×s [521.39; 891.03] Show Hide
η 0.0004275 Pa×s 521.39 Joback Calculated Property
η 0.0002371 Pa×s 583.00 Joback Calculated Property
η 0.0001472 Pa×s 644.60 Joback Calculated Property
η 0.0000993 Pa×s 706.21 Joback Calculated Property
η 0.0000714 Pa×s 767.82 Joback Calculated Property
η 0.0000539 Pa×s 829.42 Joback Calculated Property
η 0.0000423 Pa×s 891.03 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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