Chemical Properties of L-Phenylalanine, N-(2-chlorobenzoyl)-, methyl ester

L-Phenylalanine, N-(2-chlorobenzoyl)-, methyl ester

InChI
InChI=1S/C17H16ClNO3/c1-22-17(21)15(11-12-7-3-2-4-8-12)19-16(20)13-9-5-6-10-14(13)18/h2-10,15H,11H2,1H3,(H,19,20)
InChI Key
SBBIHHYZJMQAMT-UHFFFAOYSA-N
Formula
C17H16ClNO3
SMILES
COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1Cl
Molecular Weight1
317.77
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Physical Properties

Property Value Unit Source
ΔfH°gas -368.66 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.22 kJ/mol Joback Calculated Property
log10WS -4.11 Relay (1.0) Calculated Property
logPoct/wat 2.854 Crippen Calculated Property
McVol 234.100 ml/mol McGowan Calculated Property
Inp [2384.00; 2384.00]   Show Hide
Inp 2384.00 NIST
Inp 2384.00 NIST
Tboil 641.40 K Relay (1.0) Calculated Property
Tfus 359.32 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [658.43; 714.19] J/mol×K [846.15; 1083.98] Show Hide
Cp,gas 658.43 J/mol×K 846.15 Joback Calculated Property
Cp,gas 670.68 J/mol×K 885.79 Joback Calculated Property
Cp,gas 681.66 J/mol×K 925.43 Joback Calculated Property
Cp,gas 691.44 J/mol×K 965.07 Joback Calculated Property
Cp,gas 700.08 J/mol×K 1004.71 Joback Calculated Property
Cp,gas 707.64 J/mol×K 1044.35 Joback Calculated Property
Cp,gas 714.19 J/mol×K 1083.98 Joback Calculated Property

Similar Compounds

L-Phenylalanine, N-(4-bromobenzoyl)-, methyl ester. L-Phenylalanine, N-(m-anisoyl)-, methyl ester. l-Phenylalanine-, N-(p-toluoyl)-, methyl ester. L-phenylalanine, n-(p-anisoyl)-, methyl ester. L-Phenylalanine, N-(o-anisoyl)-, methyl ester. L-phenylalanine, n-(4-butylbenzoyl)-, methyl ester. l-Phenylalanine, N-(4-fluorobenzoyl)-, methyl ester. l-Phenylalanine, N-(2-fluorobenzoyl)-, methyl ester. L-Phenylalanine, N-(3-fluorobenzoyl)-, methyl ester. l-Phenylalanine, N-(2-trifluoromethylbenzoyl)-, methyl ester. l-Phenylalanine, N-(3-trifluoromethylbenzoyl)-, methyl ester. l-Phenylalanine, N-(2,3,4-trifluorobenzoyl)-, methyl ester. L-Phenylalanine, N-(2-thienylcarbonyl)-, methyl ester. L-Phenylalanine, N-(2,6-difluorobenzoyl)-, methyl ester. L-Tyrosine, N,O-bis(3-fluorobenzoyl)-, methyl ester.

Find more compounds similar to L-Phenylalanine, N-(2-chlorobenzoyl)-, methyl ester.

Sources

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