- InChI
- InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m1/s1
- InChI Key
- CEMZBWPSKYISTN-RXMQYKEDSA-N
- Formula
- C6H13NO2
- SMILES
- COC(=O)C(N)C(C)C
- Molecular Weight1
- 131.17
- CAS
- 4070-48-8
- Other Names
-
- Valine, methyl ester, L-
- (+)-L-Valine methyl ester
- Methyl valine
- Methyl L-valinate
- Valine methyl ester
- Val, methyl ester
- 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 | 0.4449 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -458.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.143 | Crippen Calculated Property | |
| McVol | 112.820 | ml/mol | McGowan Calculated Property |
| Pc | 3564.27 | kPa | Joback Calculated Property |
| Inp | [1017.00; 1028.00] |
|
|
| Inp | 1028.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Tboil | 410.30 | K | Relay (1.0) Calculated Property |
| Tc | 606.34 | K | Relay (1.0) Calculated Property |
| Tfus | 312.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.391 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.46; 311.68] | J/mol×K | [484.62; 683.50] |
|
| Cp,gas | 251.46 | J/mol×K | 484.62 | Joback Calculated Property |
| Cp,gas | 262.67 | J/mol×K | 517.77 | Joback Calculated Property |
| Cp,gas | 273.40 | J/mol×K | 550.91 | Joback Calculated Property |
| Cp,gas | 283.67 | J/mol×K | 584.06 | Joback Calculated Property |
| Cp,gas | 293.47 | J/mol×K | 617.21 | Joback Calculated Property |
| Cp,gas | 302.81 | J/mol×K | 650.35 | Joback Calculated Property |
| Cp,gas | 311.68 | J/mol×K | 683.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, methyl ester.
Sources
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