- InChI
- InChI=1S/C7H15NO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4,8H2,1-3H3/t6-/m1/s1
- InChI Key
- BQIVJVAZDJHDJF-ZCFIWIBFSA-N
- Formula
- C7H15NO2
- SMILES
- CCOC(=O)C(N)C(C)C
- Molecular Weight1
- 145.20
- CAS
- 17431-03-7
- Other Names
-
- Ethyl L-valinate
- Ethyl butanoate, 2-amino-3-methyl
- Ethyl valinate
- Valine ethyl ester
- Valine, ethyl ester, L-
- 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 | 0.4768 | Relay (1.0) Calculated Property | |
| ΔfG° | -240.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.533 | Crippen Calculated Property | |
| McVol | 126.910 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | 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 | 424.45 | K | Relay (1.0) Calculated Property |
| Tc | 623.65 | K | Relay (1.0) Calculated Property |
| Tfus | 305.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.450 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.06; 425.62] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.50610e+01 | |||
| Coefficient B | 6.87760e-01 | |||
| Coefficient C | -3.12200e-04 | |||
| Coefficient D | 2.50000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 230.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 267.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 300.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 329.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 355.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 377.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 396.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 412.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 425.62 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, ethyl ester.
Sources
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