- InChI
- InChI=1S/C24H39NO3/c1-5-6-7-8-9-10-11-12-13-18-28-24(27)22(19(2)3)25-23(26)21-16-14-20(4)15-17-21/h14-17,19,22H,5-13,18H2,1-4H3,(H,25,26)
- InChI Key
- XTRAXVUWIFCFRE-UHFFFAOYSA-N
- Formula
- C24H39NO3
- SMILES
-
CCCCCCCCCCCOC(=O)C(NC(=O)c1ccc
(C)cc1)C(C)C - Molecular Weight1
- 389.57
- 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 | 1.0374 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -766.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.823 | Crippen Calculated Property | |
| McVol | 344.250 | ml/mol | McGowan Calculated Property |
| Pc | 1062.40 | kPa | Joback Calculated Property |
| Inp | [2905.00; 2905.00] |
|
|
| Inp | 2905.00 | NIST | |
| Inp | 2905.00 | NIST | |
| Tboil | 660.89 | K | Relay (1.0) Calculated Property |
| Tc | 892.17 | K | Relay (1.0) Calculated Property |
| Tfus | 363.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.253 | m3/kmol | Relay (1.0) 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-methylbenzoyl)-, undecyl ester.
Sources
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