- InChI
- InChI=1S/C23H37NO3/c1-5-7-8-9-10-11-12-17-27-23(26)21(18(3)4)24-22(25)20-15-13-19(6-2)14-16-20/h13-16,18,21H,5-12,17H2,1-4H3,(H,24,25)
- InChI Key
- XGZQZLLKSHKGLR-UHFFFAOYSA-N
- Formula
- C23H37NO3
- SMILES
-
CCCCCCCCCOC(=O)C(NC(=O)c1ccc(C
C)cc1)C(C)C - Molecular Weight1
- 375.54
- 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 | 0.9966 | Relay (1.0) Calculated Property | |
| ΔfG° | -32.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -744.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.297 | Crippen Calculated Property | |
| McVol | 330.160 | ml/mol | McGowan Calculated Property |
| Pc | 1132.15 | kPa | Joback Calculated Property |
| Inp | [2802.00; 2802.00] |
|
|
| Inp | 2802.00 | NIST | |
| Inp | 2802.00 | NIST | |
| Tboil | 647.16 | K | Relay (1.0) Calculated Property |
| Tc | 883.87 | K | Relay (1.0) Calculated Property |
| Tfus | 348.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.198 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1090.11; 1171.35] | J/mol×K | [936.75; 1149.04] |
|
| Cp,gas | 1090.11 | J/mol×K | 936.75 | Joback Calculated Property |
| Cp,gas | 1106.70 | J/mol×K | 972.13 | Joback Calculated Property |
| Cp,gas | 1122.00 | J/mol×K | 1007.51 | Joback Calculated Property |
| Cp,gas | 1136.06 | J/mol×K | 1042.89 | Joback Calculated Property |
| Cp,gas | 1148.94 | J/mol×K | 1078.28 | Joback Calculated Property |
| Cp,gas | 1160.68 | J/mol×K | 1113.66 | Joback Calculated Property |
| Cp,gas | 1171.35 | J/mol×K | 1149.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-ethylbenzoyl)-, nonyl ester.
Sources
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