- InChI
- InChI=1S/C14H17ClFNO3/c1-8(2)7-20-14(19)9(3)17-13(18)10-5-4-6-11(15)12(10)16/h4-6,8-9H,7H2,1-3H3,(H,17,18)
- InChI Key
- FAQBVVBBADVRJR-UHFFFAOYSA-N
- Formula
- C14H17ClFNO3
- SMILES
-
CC(C)COC(=O)C(C)NC(=O)c1cccc(C
l)c1F - Molecular Weight1
- 301.74
- 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° | -324.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.49 | kJ/mol | Joback Calculated Property |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 2.797 | Crippen Calculated Property | |
| McVol | 217.360 | ml/mol | McGowan Calculated Property |
| Pc | 2056.76 | kPa | Joback Calculated Property |
| Inp | 2078.00 | NIST | |
| Tboil | 772.51 | K | Joback Calculated Property |
| Tc | 983.54 | K | Joback Calculated Property |
| Tfus | 474.26 | K | Joback Calculated Property |
| Vc | 0.832 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.11; 663.23] | J/mol×K | [772.51; 983.54] | 
|
| Cp,gas | 600.11 | J/mol×K | 772.51 | Joback Calculated Property |
| Cp,gas | 612.90 | J/mol×K | 807.68 | Joback Calculated Property |
| Cp,gas | 624.76 | J/mol×K | 842.85 | Joback Calculated Property |
| Cp,gas | 635.70 | J/mol×K | 878.02 | Joback Calculated Property |
| Cp,gas | 645.74 | J/mol×K | 913.19 | Joback Calculated Property |
| Cp,gas | 654.91 | J/mol×K | 948.36 | Joback Calculated Property |
| Cp,gas | 663.23 | J/mol×K | 983.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, isobutyl ester.
Sources
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