- InChI
- InChI=1S/C14H26ClNO3/c1-3-4-5-8-11-19-14(18)12(2)16-13(17)9-6-7-10-15/h12H,3-11H2,1-2H3,(H,16,17)
- InChI Key
- JAYPLEGBRSWVSE-UHFFFAOYSA-N
- Formula
- C14H26ClNO3
- SMILES
- CCCCCCOC(=O)C(C)NC(=O)CCCCCl
- Molecular Weight1
- 291.81
- 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° | -220.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.09 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.024 | Crippen Calculated Property | |
| McVol | 239.350 | ml/mol | McGowan Calculated Property |
| Pc | 1640.43 | kPa | Joback Calculated Property |
| Inp | [2146.00; 2146.00] |
|
|
| Inp | 2146.00 | NIST | |
| Inp | 2146.00 | NIST | |
| Tboil | 737.04 | K | Joback Calculated Property |
| Tc | 922.94 | K | Joback Calculated Property |
| Tfus | 437.21 | K | Joback Calculated Property |
| Vc | 0.927 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [682.39; 759.72] | J/mol×K | [737.04; 922.94] |
|
| Cp,gas | 682.39 | J/mol×K | 737.04 | Joback Calculated Property |
| Cp,gas | 697.27 | J/mol×K | 768.02 | Joback Calculated Property |
| Cp,gas | 711.33 | J/mol×K | 799.01 | Joback Calculated Property |
| Cp,gas | 724.58 | J/mol×K | 829.99 | Joback Calculated Property |
| Cp,gas | 737.06 | J/mol×K | 860.97 | Joback Calculated Property |
| Cp,gas | 748.76 | J/mol×K | 891.95 | Joback Calculated Property |
| Cp,gas | 759.72 | J/mol×K | 922.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(5-chlorovaleryl)-, hexyl ester.
Sources
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