- InChI
- InChI=1S/C14H26ClNO3/c1-4-5-10-19-14(18)13(11(2)3)16-12(17)8-6-7-9-15/h11,13H,4-10H2,1-3H3,(H,16,17)
- InChI Key
- WCEGVVOWCOOSRY-UHFFFAOYSA-N
- Formula
- C14H26ClNO3
- SMILES
- CCCCOC(=O)C(NC(=O)CCCCCl)C(C)C
- Molecular Weight1
- 291.81
- 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 | 0.7811 | Relay (1.0) Calculated Property | |
| ΔfG° | -223.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -819.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.880 | Crippen Calculated Property | |
| McVol | 239.350 | ml/mol | McGowan Calculated Property |
| Pc | 1651.11 | kPa | Joback Calculated Property |
| Inp | [2060.00; 2060.00] |
|
|
| Inp | 2060.00 | NIST | |
| Inp | 2060.00 | NIST | |
| Tboil | 562.52 | K | Relay (1.0) Calculated Property |
| Tc | 780.49 | K | Relay (1.0) Calculated Property |
| Tfus | 315.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.850 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [682.91; 760.99] | J/mol×K | [736.60; 924.73] |
|
| Cp,gas | 682.91 | J/mol×K | 736.60 | Joback Calculated Property |
| Cp,gas | 697.99 | J/mol×K | 767.95 | Joback Calculated Property |
| Cp,gas | 712.21 | J/mol×K | 799.31 | Joback Calculated Property |
| Cp,gas | 725.61 | J/mol×K | 830.66 | Joback Calculated Property |
| Cp,gas | 738.19 | J/mol×K | 862.02 | Joback Calculated Property |
| Cp,gas | 749.98 | J/mol×K | 893.37 | Joback Calculated Property |
| Cp,gas | 760.99 | J/mol×K | 924.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(5-chlorovaleryl)-, butyl ester.
Sources
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