- InChI
- InChI=1S/C20H27F4NO3/c1-3-4-5-6-7-8-9-12-28-19(27)14(2)25-18(26)15-10-11-16(17(21)13-15)20(22,23)24/h10-11,13-14H,3-9,12H2,1-2H3,(H,25,26)
- InChI Key
- JOXWXLGMFIZHDX-UHFFFAOYSA-N
- Formula
- C20H27F4NO3
- SMILES
-
CCCCCCCCCOC(=O)C(C)NC(=O)c1ccc
(C(F)(F)F)c(F)c1 - Molecular Weight1
- 405.43
- 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° | -841.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1344.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.10 | kJ/mol | Joback Calculated Property |
| log10WS | -6.83 | Crippen Calculated Property | |
| logPoct/wat | 5.257 | Crippen Calculated Property | |
| McVol | 294.970 | ml/mol | McGowan Calculated Property |
| Pc | 1215.74 | kPa | Joback Calculated Property |
| Inp | 2351.00 | NIST | |
| Tboil | 867.38 | K | Joback Calculated Property |
| Tc | 1064.65 | K | Joback Calculated Property |
| Tfus | 531.15 | K | Joback Calculated Property |
| Vc | 1.167 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [937.66; 1010.59] | J/mol×K | [867.38; 1064.65] | 
|
| Cp,gas | 937.66 | J/mol×K | 867.38 | Joback Calculated Property |
| Cp,gas | 952.19 | J/mol×K | 900.26 | Joback Calculated Property |
| Cp,gas | 965.71 | J/mol×K | 933.14 | Joback Calculated Property |
| Cp,gas | 978.25 | J/mol×K | 966.02 | Joback Calculated Property |
| Cp,gas | 989.88 | J/mol×K | 998.89 | Joback Calculated Property |
| Cp,gas | 1000.64 | J/mol×K | 1031.77 | Joback Calculated Property |
| Cp,gas | 1010.59 | J/mol×K | 1064.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(3-fluoro-4-trifluoromethylbenzoyl)-, nonyl ester.
Sources
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