- InChI
- InChI=1S/C17H26N2O5/c1-3-4-5-6-12-11(7-8-14(12)20)9-16(22)19-13(10-15(18)21)17(23)24-2/h4-5,11-13H,3,6-10H2,1-2H3,(H2,18,21)(H,19,22)/b5-4-/t11-,12-,13+/m1/s1
- InChI Key
- WFVJNNZQFWYNPU-VAFQMXCQSA-N
- Formula
- C17H26N2O5
- SMILES
-
CCC=CCC1C(=O)CCC1CC(=O)NC(CC(N
)=O)C(=O)OC - Molecular Weight1
- 338.40
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8204 | Relay (... Calculated Property | |
| ΔfG° | -259.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -990.04 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 47.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.38 | kJ/mol | Relay (... Calculated Property |
| IE | 8.87 | eV | Relay (... Calculated Property |
| log10WS | -2.48 | Relay (... Calculated Property | |
| logPoct/wat | 0.861 | Crippen Calculated Property | |
| McVol | 267.340 | ml/mol | McGowan Calculated Property |
| Pc | 1786.37 | kPa | Joback Calculated Property |
| Inp | 2427.00 | NIST | |
| Tboil | 623.10 | K | Relay (... Calculated Property |
| Tc | 886.96 | K | Relay (... Calculated Property |
| Tfus | 376.07 | K | Relay (... Calculated Property |
| Vc | 0.886 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [906.32; 958.26] | J/mol×K | [977.24; 1205.65] | 
|
| Cp,gas | 906.32 | J/mol×K | 977.24 | Joback Calculated Property |
| Cp,gas | 918.59 | J/mol×K | 1015.31 | Joback Calculated Property |
| Cp,gas | 929.38 | J/mol×K | 1053.38 | Joback Calculated Property |
| Cp,gas | 938.71 | J/mol×K | 1091.45 | Joback Calculated Property |
| Cp,gas | 946.62 | J/mol×K | 1129.51 | Joback Calculated Property |
| Cp,gas | 953.13 | J/mol×K | 1167.58 | Joback Calculated Property |
| Cp,gas | 958.26 | J/mol×K | 1205.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-Jasmonic acid, (S)-Asp conjugate, methyl ester.
Sources
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