- InChI
- InChI=1S/C21H33NO3/c1-5-7-8-9-10-15-25-21(24)19(16(3)4)22-20(23)18-13-11-17(6-2)12-14-18/h11-14,16,19H,5-10,15H2,1-4H3,(H,22,23)
- InChI Key
- YMKJXSPJULOMNO-UHFFFAOYSA-N
- Formula
- C21H33NO3
- SMILES
-
CCCCCCCOC(=O)C(NC(=O)c1ccc(CC)
cc1)C(C)C - Molecular Weight1
- 347.49
- 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 | 0.9198 | Relay (1.0) Calculated Property | |
| ΔfG° | -49.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.517 | Crippen Calculated Property | |
| McVol | 301.980 | ml/mol | McGowan Calculated Property |
| Pc | 1293.93 | kPa | Joback Calculated Property |
| Inp | [2611.00; 2611.00] |
|
|
| Inp | 2611.00 | NIST | |
| Inp | 2611.00 | NIST | |
| Tboil | 633.11 | K | Relay (1.0) Calculated Property |
| Tc | 868.43 | K | Relay (1.0) Calculated Property |
| Tfus | 346.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.089 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [968.72; 1048.74] | J/mol×K | [890.99; 1098.86] |
|
| Cp,gas | 968.72 | J/mol×K | 890.99 | Joback Calculated Property |
| Cp,gas | 984.92 | J/mol×K | 925.64 | Joback Calculated Property |
| Cp,gas | 999.91 | J/mol×K | 960.28 | Joback Calculated Property |
| Cp,gas | 1013.75 | J/mol×K | 994.93 | Joback Calculated Property |
| Cp,gas | 1026.46 | J/mol×K | 1029.57 | Joback Calculated Property |
| Cp,gas | 1038.11 | J/mol×K | 1064.22 | Joback Calculated Property |
| Cp,gas | 1048.74 | J/mol×K | 1098.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-ethylbenzoyl)-, heptyl ester.
Sources
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