- InChI
- InChI=1S/C16H23NO3/c1-5-10-20-16(19)14(11(2)3)17-15(18)13-8-6-12(4)7-9-13/h6-9,11,14H,5,10H2,1-4H3,(H,17,18)
- InChI Key
- FDJPADAZDGHMDT-UHFFFAOYSA-N
- Formula
- C16H23NO3
- SMILES
-
CCCOC(=O)C(NC(=O)c1ccc(C)cc1)C
(C)C - Molecular Weight1
- 277.36
- 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° | -91.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -462.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 2.703 | Crippen Calculated Property | |
| McVol | 231.530 | ml/mol | McGowan Calculated Property |
| Pc | 1890.36 | kPa | Joback Calculated Property |
| Inp | [2113.00; 2113.00] |
|
|
| Inp | 2113.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Tboil | 776.59 | K | Joback Calculated Property |
| Tc | 986.41 | K | Joback Calculated Property |
| Tfus | 453.77 | K | Joback Calculated Property |
| Vc | 0.876 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.99; 754.00] | J/mol×K | [776.59; 986.41] |
|
| Cp,gas | 677.99 | J/mol×K | 776.59 | Joback Calculated Property |
| Cp,gas | 693.22 | J/mol×K | 811.56 | Joback Calculated Property |
| Cp,gas | 707.38 | J/mol×K | 846.53 | Joback Calculated Property |
| Cp,gas | 720.50 | J/mol×K | 881.50 | Joback Calculated Property |
| Cp,gas | 732.63 | J/mol×K | 916.47 | Joback Calculated Property |
| Cp,gas | 743.79 | J/mol×K | 951.44 | Joback Calculated Property |
| Cp,gas | 754.00 | J/mol×K | 986.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-methylbenzoyl)-, propyl ester.
Sources
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