- InChI
- InChI=1S/C13H25NO4/c1-7-17-13(16)14-11(9(4)5)12(15)18-10(6)8(2)3/h8-11H,7H2,1-6H3,(H,14,16)/t10-,11?/m0/s1
- InChI Key
- ZYEHEHZLKTWBIM-VUWPPUDQSA-N
- Formula
- C13H25NO4
- SMILES
-
CCOC(=O)NC(C(=O)OC(C)C(C)C)C(C
)C - Molecular Weight1
- 259.34
- 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° | -329.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -768.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.73 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.345 | Crippen Calculated Property | |
| McVol | 218.890 | ml/mol | McGowan Calculated Property |
| Pc | 1843.58 | kPa | Joback Calculated Property |
| Inp | [1584.80; 1584.80] |
|
|
| Inp | 1584.80 | NIST | |
| Inp | 1584.80 | NIST | |
| Tboil | 697.83 | K | Joback Calculated Property |
| Tc | 887.34 | K | Joback Calculated Property |
| Tfus | 373.25 | K | Joback Calculated Property |
| Vc | 0.823 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.66; 709.70] | J/mol×K | [697.83; 887.34] |
|
| Cp,gas | 627.66 | J/mol×K | 697.83 | Joback Calculated Property |
| Cp,gas | 643.47 | J/mol×K | 729.42 | Joback Calculated Property |
| Cp,gas | 658.42 | J/mol×K | 761.00 | Joback Calculated Property |
| Cp,gas | 672.52 | J/mol×K | 792.59 | Joback Calculated Property |
| Cp,gas | 685.76 | J/mol×K | 824.17 | Joback Calculated Property |
| Cp,gas | 698.15 | J/mol×K | 855.76 | Joback Calculated Property |
| Cp,gas | 709.70 | J/mol×K | 887.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.
Sources
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