- InChI
- InChI=1S/C14H25NO3/c1-10(2)13(14(17)18-3)15-12(16)9-8-11-6-4-5-7-11/h10-11,13H,4-9H2,1-3H3,(H,15,16)
- InChI Key
- GWMQERYZEILNGH-UHFFFAOYSA-N
- Formula
- C14H25NO3
- SMILES
- COC(=O)C(NC(=O)CCC1CCCC1)C(C)C
- Molecular Weight1
- 255.35
- 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° | -174.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.58 | kJ/mol | Joback Calculated Property |
| log10WS | -3.03 | Crippen Calculated Property | |
| logPoct/wat | 2.271 | Crippen Calculated Property | |
| McVol | 216.250 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Inp | 1836.00 | NIST | |
| Tboil | 714.45 | K | Joback Calculated Property |
| Tc | 917.44 | K | Joback Calculated Property |
| Tfus | 403.19 | K | Joback Calculated Property |
| Vc | 0.814 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [644.11; 733.20] | J/mol×K | [714.45; 917.44] | 
|
| Cp,gas | 644.11 | J/mol×K | 714.45 | Joback Calculated Property |
| Cp,gas | 661.58 | J/mol×K | 748.28 | Joback Calculated Property |
| Cp,gas | 677.96 | J/mol×K | 782.11 | Joback Calculated Property |
| Cp,gas | 693.29 | J/mol×K | 815.95 | Joback Calculated Property |
| Cp,gas | 707.58 | J/mol×K | 849.78 | Joback Calculated Property |
| Cp,gas | 720.88 | J/mol×K | 883.61 | Joback Calculated Property |
| Cp,gas | 733.20 | J/mol×K | 917.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, N-(3-cyclopentylpropionyl)-, methyl ester.
Sources
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