- InChI
- InChI=1S/C7H15NO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4,8H2,1-3H3
- InChI Key
- BQIVJVAZDJHDJF-UHFFFAOYSA-N
- Formula
- C7H15NO2
- SMILES
- CCOC(=O)C(N)C(C)C
- Molecular Weight1
- 145.20
- CAS
- 17431-03-7
- Other Names
-
- Valine, ethyl ester, L-
- Valine ethyl ester
- Ethyl L-valinate
- Ethyl valinate
- Ethyl butanoate, 2-amino-3-methyl
- 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° | -164.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -409.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.20 | kJ/mol | Joback Calculated Property |
| log10WS | -0.92 | Crippen Calculated Property | |
| logPoct/wat | 0.533 | Crippen Calculated Property | |
| McVol | 126.910 | ml/mol | McGowan Calculated Property |
| Pc | 3188.33 | kPa | Joback Calculated Property |
| Inp | [992.00; 1017.00] |
|
|
| Inp | 1017.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 992.00 | NIST | |
| Tboil | 507.50 | K | Joback Calculated Property |
| Tc | 703.81 | K | Joback Calculated Property |
| Tfus | 294.07 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [294.09; 360.05] | J/mol×K | [507.50; 703.81] |
|
| Cp,gas | 294.09 | J/mol×K | 507.50 | Joback Calculated Property |
| Cp,gas | 306.40 | J/mol×K | 540.22 | Joback Calculated Property |
| Cp,gas | 318.17 | J/mol×K | 572.94 | Joback Calculated Property |
| Cp,gas | 329.42 | J/mol×K | 605.65 | Joback Calculated Property |
| Cp,gas | 340.15 | J/mol×K | 638.37 | Joback Calculated Property |
| Cp,gas | 350.36 | J/mol×K | 671.09 | Joback Calculated Property |
| Cp,gas | 360.05 | J/mol×K | 703.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, ethyl ester.
Sources
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