- InChI
- InChI=1S/C24H39NO3/c1-5-7-8-9-10-11-12-13-18-28-24(27)22(19(3)4)25-23(26)21-16-14-20(6-2)15-17-21/h14-17,19,22H,5-13,18H2,1-4H3,(H,25,26)
- InChI Key
- WWGNUKMYAXYBQB-UHFFFAOYSA-N
- Formula
- C24H39NO3
- SMILES
-
CCCCCCCCCCOC(=O)C(NC(=O)c1ccc(
CC)cc1)C(C)C - Molecular Weight1
- 389.57
- 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° | -24.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.52 | kJ/mol | Joback Calculated Property |
| log10WS | -7.21 | Crippen Calculated Property | |
| logPoct/wat | 5.687 | Crippen Calculated Property | |
| McVol | 344.250 | ml/mol | McGowan Calculated Property |
| Pc | 1062.40 | kPa | Joback Calculated Property |
| Inp | [2903.00; 2903.00] |
|
|
| Inp | 2903.00 | NIST | |
| Inp | 2903.00 | NIST | |
| Tboil | 959.63 | K | Joback Calculated Property |
| Tc | 1175.47 | K | Joback Calculated Property |
| Tfus | 543.93 | K | Joback Calculated Property |
| Vc | 1.325 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1151.67; 1233.56] | J/mol×K | [959.63; 1175.47] |
|
| Cp,gas | 1151.67 | J/mol×K | 959.63 | Joback Calculated Property |
| Cp,gas | 1168.49 | J/mol×K | 995.60 | Joback Calculated Property |
| Cp,gas | 1183.96 | J/mol×K | 1031.58 | Joback Calculated Property |
| Cp,gas | 1198.15 | J/mol×K | 1067.55 | Joback Calculated Property |
| Cp,gas | 1211.10 | J/mol×K | 1103.52 | Joback Calculated Property |
| Cp,gas | 1222.89 | J/mol×K | 1139.49 | Joback Calculated Property |
| Cp,gas | 1233.56 | J/mol×K | 1175.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-ethylbenzoyl)-, decyl ester.
Sources
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