- InChI
- InChI=1S/C17H25NO3/c1-5-6-11-21-17(20)15(12(2)3)18-16(19)14-9-7-13(4)8-10-14/h7-10,12,15H,5-6,11H2,1-4H3,(H,18,19)
- InChI Key
- WHEIBZRPHDEVHA-UHFFFAOYSA-N
- Formula
- C17H25NO3
- SMILES
-
CCCCOC(=O)C(NC(=O)c1ccc(C)cc1)
C(C)C - Molecular Weight1
- 291.39
- 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° | -83.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -483.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.37 | Crippen Calculated Property | |
| logPoct/wat | 3.093 | Crippen Calculated Property | |
| McVol | 245.620 | ml/mol | McGowan Calculated Property |
| Pc | 1741.91 | kPa | Joback Calculated Property |
| Inp | [2202.00; 2202.00] |
|
|
| Inp | 2202.00 | NIST | |
| Inp | 2202.00 | NIST | |
| Tboil | 799.47 | K | Joback Calculated Property |
| Tc | 1007.62 | K | Joback Calculated Property |
| Tfus | 465.04 | K | Joback Calculated Property |
| Vc | 0.932 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.43; 811.50] | J/mol×K | [799.47; 1007.62] |
|
| Cp,gas | 734.43 | J/mol×K | 799.47 | Joback Calculated Property |
| Cp,gas | 749.88 | J/mol×K | 834.16 | Joback Calculated Property |
| Cp,gas | 764.24 | J/mol×K | 868.85 | Joback Calculated Property |
| Cp,gas | 777.56 | J/mol×K | 903.54 | Joback Calculated Property |
| Cp,gas | 789.85 | J/mol×K | 938.23 | Joback Calculated Property |
| Cp,gas | 801.16 | J/mol×K | 972.92 | Joback Calculated Property |
| Cp,gas | 811.50 | J/mol×K | 1007.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-methylbenzoyl)-, butyl ester.
Sources
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