- InChI
- InChI=1S/C16H30ClNO3/c1-3-4-5-6-7-10-13-21-16(20)14(2)18-15(19)11-8-9-12-17/h14H,3-13H2,1-2H3,(H,18,19)
- InChI Key
- LIOUYMBQEQGVFT-UHFFFAOYSA-N
- Formula
- C16H30ClNO3
- SMILES
- CCCCCCCCOC(=O)C(C)NC(=O)CCCCCl
- Molecular Weight1
- 319.87
- 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° | -203.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -698.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.61 | Crippen Calculated Property | |
| logPoct/wat | 3.804 | Crippen Calculated Property | |
| McVol | 267.530 | ml/mol | McGowan Calculated Property |
| Pc | 1412.25 | kPa | Joback Calculated Property |
| Inp | 2349.00 | NIST | |
| Tboil | 782.80 | K | Joback Calculated Property |
| Tc | 969.58 | K | Joback Calculated Property |
| Tfus | 459.75 | K | Joback Calculated Property |
| Vc | 1.040 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [795.74; 876.65] | J/mol×K | [782.80; 969.58] | 
|
| Cp,gas | 795.74 | J/mol×K | 782.80 | Joback Calculated Property |
| Cp,gas | 811.40 | J/mol×K | 813.93 | Joback Calculated Property |
| Cp,gas | 826.16 | J/mol×K | 845.06 | Joback Calculated Property |
| Cp,gas | 840.04 | J/mol×K | 876.19 | Joback Calculated Property |
| Cp,gas | 853.07 | J/mol×K | 907.32 | Joback Calculated Property |
| Cp,gas | 865.27 | J/mol×K | 938.45 | Joback Calculated Property |
| Cp,gas | 876.65 | J/mol×K | 969.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(5-chlorovaleryl)-, octyl ester.
Sources
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