Chemical Properties of (+)-Jasmonic acid - (S)-Val conjugate, methyl ester

(+)-Jasmonic acid - (S)-Val conjugate, methyl ester

InChI
InChI=1S/C18H29NO4/c1-5-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(12(2)3)18(22)23-4/h6-7,12-14,17H,5,8-11H2,1-4H3,(H,19,21)/b7-6-/t13-,14+,17?/m0/s1
InChI Key
GDPPAUUXPQZOBY-JKVOCJEQSA-N
Formula
C18H29NO4
SMILES
CCC=CCC1C(=O)CCC1CC(=O)NC(C(=O)OC)C(C)C
Molecular Weight1
323.43
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Physical Properties

Property Value Unit Source
ΔfusH° 41.12 kJ/mol Joback Calculated Property
logPoct/wat 2.642 Crippen Calculated Property
McVol 269.880 ml/mol McGowan Calculated Property
Inp 2291.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [381.55; 941.56] 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-1.75770e+01
Coefficient B1.67598e+00
Coefficient C-8.08900e-04
Coefficient D9.20600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 381.55 J/mol×K 273.00 Calculated Property
Cp,gas 478.18 J/mol×K 353.78 Calculated Property
Cp,gas 565.53 J/mol×K 434.56 Calculated Property
Cp,gas 643.89 J/mol×K 515.33 Calculated Property
Cp,gas 713.55 J/mol×K 596.11 Calculated Property
Cp,gas 774.81 J/mol×K 676.89 Calculated Property
Cp,gas 827.94 J/mol×K 757.67 Calculated Property
Cp,gas 873.25 J/mol×K 838.44 Calculated Property
Cp,gas 911.03 J/mol×K 919.22 Calculated Property
Cp,gas 941.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

(-) Jasmonic acid - (S)-Val conjugate, methyl ester. (-)-Jasmonic acid - (R)-Val conjugate, methyl ester. (-)-Jasmonic acid - (S)-Ile conjugate, methyl ester. (-)-Jasmonic acid, Ile-conjugate # 1, methyl ester. (-)-Jasmonic acid, Ile-conjugate # 3, methyl ester. (+)-Jasmonic acid - (S)-Ile conjugate, methyl ester. (-)-Jasmonic acid, Ile-conjugate # 2, methyl ester. cis-Jasmonic acid, Ile-conjugate, methyl ester. Homojasmonic acid, Ile conjugate, methyl ester. Dehydrojasmonic acid, Ile conjugate, methyl ester. bis-Homojasmonic acid, Ile conjugate, methyl ester. (-)-Jasmonic acid, - (S)-Glu conjugate, methyl ester. (-)-Jasmonic acid - (S)-Leu conjugate, methyl ester. (-)-Jasmonic acid, (S)-Asp conjugate, methyl ester. (-)-Jasmonic acid - (S)-Ala conjugate, methyl ester.

Find more compounds similar to (+)-Jasmonic acid - (S)-Val conjugate, methyl ester.

Sources

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