Chemical Properties of L-Homophenylalanine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

L-Homophenylalanine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

InChI
InChI=1S/C18H27NO4/c1-5-22-18(21)19-16(17(20)23-14(4)13(2)3)12-11-15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12H2,1-4H3,(H,19,21)/t14-,16-/m0/s1
InChI Key
CLNFJLQNJRIWKG-HOCLYGCPSA-N
Formula
C18H27NO4
SMILES
CCOC(=O)N[C@@H](CCc1ccccc1)C(=O)O[C@@H](C)C(C)C
Molecular Weight1
321.42
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Physical Properties

Property Value Unit Source
ΔfusH° 39.68 kJ/mol Joback Calculated Property
ΔvapH° 100.05 kJ/mol Relay (1.0) Calculated Property
log10WS -3.98 Relay (1.0) Calculated Property
logPoct/wat 3.322 Crippen Calculated Property
McVol 265.580 ml/mol McGowan Calculated Property
Inp [2170.90; 2170.90]   Show Hide
Inp 2170.90 NIST
Inp 2170.90 NIST
Tboil 624.71 K Relay (1.0) Calculated Property
Tfus 323.58 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [377.99; 884.16] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.81700e+00
Coefficient B1.61928e+00
Coefficient C-8.55600e-04
Coefficient D1.23300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 377.99 J/mol×K 273.00 Calculated Property
Cp,gas 468.42 J/mol×K 353.78 Calculated Property
Cp,gas 549.40 J/mol×K 434.56 Calculated Property
Cp,gas 621.31 J/mol×K 515.33 Calculated Property
Cp,gas 684.54 J/mol×K 596.11 Calculated Property
Cp,gas 739.48 J/mol×K 676.89 Calculated Property
Cp,gas 786.52 J/mol×K 757.67 Calculated Property
Cp,gas 826.06 J/mol×K 838.44 Calculated Property
Cp,gas 858.47 J/mol×K 919.22 Calculated Property
Cp,gas 884.16 J/mol×K 1000.00 Calculated Property

Similar Compounds

D-Homophenylalanine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Moexipril desethyl - H2O Me (Moexprilate - H2O Me). Pholcodine. Dehydrojaconine. Strychnine. Methysergide. Benzylmorphine. 3-O,6-O,N-Triacetylnormorphine. 13«beta»-Acetoxyanagyrine. TCN. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. DIHYDROERGOKRYPTINE. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester).

Find more compounds similar to L-Homophenylalanine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Sources

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