- InChI
- InChI=1S/C17H22F3NO4/c1-9(2)6-5-7-25-17(23)10(3)21-16(22)11-8-12(18)14(20)15(24-4)13(11)19/h8-10H,5-7H2,1-4H3,(H,21,22)
- InChI Key
- UAHKYLNPTOQFSJ-UHFFFAOYSA-N
- Formula
- C17H22F3NO4
- SMILES
-
COc1c(F)c(F)cc(C(=O)NC(C)C(=O)
OCCCC(C)C)c1F - Molecular Weight1
- 361.36
- 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° | -801.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1238.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.88 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 3.210 | Crippen Calculated Property | |
| McVol | 256.800 | ml/mol | McGowan Calculated Property |
| Pc | 1487.29 | kPa | Joback Calculated Property |
| Inp | 2224.00 | NIST | |
| Tboil | 834.64 | K | Joback Calculated Property |
| Tc | 1030.84 | K | Joback Calculated Property |
| Tfus | 526.60 | K | Joback Calculated Property |
| Vc | 1.004 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [782.20; 847.86] | J/mol×K | [834.64; 1030.84] | 
|
| Cp,gas | 782.20 | J/mol×K | 834.64 | Joback Calculated Property |
| Cp,gas | 795.63 | J/mol×K | 867.34 | Joback Calculated Property |
| Cp,gas | 808.07 | J/mol×K | 900.04 | Joback Calculated Property |
| Cp,gas | 819.50 | J/mol×K | 932.74 | Joback Calculated Property |
| Cp,gas | 829.95 | J/mol×K | 965.44 | Joback Calculated Property |
| Cp,gas | 839.40 | J/mol×K | 998.14 | Joback Calculated Property |
| Cp,gas | 847.86 | J/mol×K | 1030.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2,4,5-trifluoro-3-methoxybenzoyl)-, isohexyl ester.
Sources
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