- InChI
- InChI=1S/C20H33NO4/c1-5-7-8-9-10-11-15-16(12-13-17(15)22)19(23)21-18(14(3)6-2)20(24)25-4/h9-10,14-16,18H,5-8,11-13H2,1-4H3,(H,21,23)/b10-9-/t14?,15-,16+,18?/m1/s1
- InChI Key
- QGYGIGLKPMEWPT-LHXQQAQFSA-N
- Formula
- C20H33NO4
- SMILES
-
CCCCC=CCC1C(=O)CCC1C(=O)NC(C(=
O)OC)C(C)CC - Molecular Weight1
- 351.48
- 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° | -174.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.83 | kJ/mol | Joback Calculated Property |
| log10WS | -4.44 | Crippen Calculated Property | |
| logPoct/wat | 3.422 | Crippen Calculated Property | |
| McVol | 298.060 | ml/mol | McGowan Calculated Property |
| Pc | 1307.06 | kPa | Joback Calculated Property |
| Inp | 2587.00 | NIST | |
| Tboil | 919.04 | K | Joback Calculated Property |
| Tc | 1133.58 | K | Joback Calculated Property |
| Tfus | 529.71 | K | Joback Calculated Property |
| Vc | 1.135 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1008.74; 1086.84] | J/mol×K | [919.04; 1133.58] | 
|
| Cp,gas | 1008.74 | J/mol×K | 919.04 | Joback Calculated Property |
| Cp,gas | 1025.30 | J/mol×K | 954.80 | Joback Calculated Property |
| Cp,gas | 1040.41 | J/mol×K | 990.55 | Joback Calculated Property |
| Cp,gas | 1054.08 | J/mol×K | 1026.31 | Joback Calculated Property |
| Cp,gas | 1066.36 | J/mol×K | 1062.07 | Joback Calculated Property |
| Cp,gas | 1077.27 | J/mol×K | 1097.83 | Joback Calculated Property |
| Cp,gas | 1086.84 | J/mol×K | 1133.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to bis-Homojasmonic acid, Ile conjugate, methyl ester.
Sources
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