- InChI
- InChI=1S/C11H20ClNO3/c1-8(2)10(11(15)16-3)13-9(14)6-4-5-7-12/h8,10H,4-7H2,1-3H3,(H,13,14)
- InChI Key
- ZDCLUYAODLSBMX-UHFFFAOYSA-N
- Formula
- C11H20ClNO3
- SMILES
- COC(=O)C(NC(=O)CCCCCl)C(C)C
- Molecular Weight1
- 249.73
- 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° | -248.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 1.709 | Crippen Calculated Property | |
| McVol | 197.080 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | kPa | Joback Calculated Property |
| Inp | [1726.00; 1726.00] |
|
|
| Inp | 1726.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Tboil | 667.96 | K | Joback Calculated Property |
| Tc | 859.44 | K | Joback Calculated Property |
| Tfus | 388.40 | K | Joback Calculated Property |
| Vc | 0.753 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.39; 592.85] | J/mol×K | [667.96; 859.44] |
|
| Cp,gas | 521.39 | J/mol×K | 667.96 | Joback Calculated Property |
| Cp,gas | 535.11 | J/mol×K | 699.87 | Joback Calculated Property |
| Cp,gas | 548.09 | J/mol×K | 731.79 | Joback Calculated Property |
| Cp,gas | 560.35 | J/mol×K | 763.70 | Joback Calculated Property |
| Cp,gas | 571.88 | J/mol×K | 795.61 | Joback Calculated Property |
| Cp,gas | 582.71 | J/mol×K | 827.53 | Joback Calculated Property |
| Cp,gas | 592.85 | J/mol×K | 859.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, N-(5-chlrovaleryl)-, methyl ester.
Sources
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