- InChI
- InChI=1S/C18H27NO6/c1-4-5-6-7-13-12(8-9-15(13)20)10-16(21)19-14(18(23)25-3)11-17(22)24-2/h5-6,12-14H,4,7-11H2,1-3H3,(H,19,21)/b6-5-/t12-,13-,14?/m0/s1
- InChI Key
- GWLPBQMHLOWLFI-LFMXXEDNSA-N
- Formula
- C18H27NO6
- SMILES
-
CCC=CCC1C(=O)CCC1CC(=O)NC(CC(=
O)OC)C(=O)OC - Molecular Weight1
- 353.41
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -422.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -949.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.92 | kJ/mol | Joback Calculated Property |
| log10WS | -2.70 | Crippen Calculated Property | |
| logPoct/wat | 1.549 | Crippen Calculated Property | |
| McVol | 277.320 | ml/mol | McGowan Calculated Property |
| Pc | 1554.90 | kPa | Joback Calculated Property |
| Inp | 2553.00 | NIST | |
| Tboil | 950.01 | K | Joback Calculated Property |
| Tc | 1170.61 | K | Joback Calculated Property |
| Tfus | 594.33 | K | Joback Calculated Property |
| Vc | 1.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [930.19; 987.05] | J/mol×K | [950.01; 1170.61] | 
|
| Cp,gas | 930.19 | J/mol×K | 950.01 | Joback Calculated Property |
| Cp,gas | 943.53 | J/mol×K | 986.78 | Joback Calculated Property |
| Cp,gas | 955.33 | J/mol×K | 1023.54 | Joback Calculated Property |
| Cp,gas | 965.56 | J/mol×K | 1060.31 | Joback Calculated Property |
| Cp,gas | 974.26 | J/mol×K | 1097.08 | Joback Calculated Property |
| Cp,gas | 981.42 | J/mol×K | 1133.84 | Joback Calculated Property |
| Cp,gas | 987.05 | J/mol×K | 1170.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-Jasmonic acid, - (S)-Glu conjugate, methyl ester.
Sources
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