- InChI
- InChI=1S/C12H22ClNO3/c1-9(2)8-17-12(16)10(3)14-11(15)6-4-5-7-13/h9-10H,4-8H2,1-3H3,(H,14,15)
- InChI Key
- ZYJVGFIIKFSXSY-UHFFFAOYSA-N
- Formula
- C12H22ClNO3
- SMILES
- CC(C)COC(=O)C(C)NC(=O)CCCCCl
- Molecular Weight1
- 263.76
- 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 | 0.7289 | Relay (1.0) Calculated Property | |
| ΔfG° | -240.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.099 | Crippen Calculated Property | |
| McVol | 211.170 | ml/mol | McGowan Calculated Property |
| Pc | 1942.37 | kPa | Joback Calculated Property |
| Inp | 1907.00 | NIST | |
| Tboil | 552.85 | K | Relay (1.0) Calculated Property |
| Tc | 761.96 | K | Relay (1.0) Calculated Property |
| Tfus | 321.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.763 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.99; 647.94] | J/mol×K | [690.84; 880.76] | 
|
| Cp,gas | 573.99 | J/mol×K | 690.84 | Joback Calculated Property |
| Cp,gas | 588.21 | J/mol×K | 722.49 | Joback Calculated Property |
| Cp,gas | 601.65 | J/mol×K | 754.15 | Joback Calculated Property |
| Cp,gas | 614.33 | J/mol×K | 785.80 | Joback Calculated Property |
| Cp,gas | 626.27 | J/mol×K | 817.45 | Joback Calculated Property |
| Cp,gas | 637.46 | J/mol×K | 849.10 | Joback Calculated Property |
| Cp,gas | 647.94 | J/mol×K | 880.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(5-chlorovaleryl)-, isobutyl ester.
Sources
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