- InChI
- InChI=1S/C25H38F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-32-23(30)18-19-29-24(31)21-14-16-22(17-15-21)25(26,27)28/h14-17H,2-13,18-20H2,1H3,(H,29,31)
- InChI Key
- TURHBTNXJGAGRL-UHFFFAOYSA-N
- Formula
- C25H38F3NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCNC(=O)c1
ccc(C(F)(F)F)cc1 - Molecular Weight1
- 457.57
- 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° | -592.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1235.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.77 | kJ/mol | Joback Calculated Property |
| log10WS | -8.48 | Crippen Calculated Property | |
| logPoct/wat | 7.070 | Crippen Calculated Property | |
| McVol | 363.650 | ml/mol | McGowan Calculated Property |
| Pc | 920.50 | kPa | Joback Calculated Property |
| Inp | 3147.00 | NIST | |
| Tboil | 977.97 | K | Joback Calculated Property |
| Tc | 1199.52 | K | Joback Calculated Property |
| Tfus | 589.39 | K | Joback Calculated Property |
| Vc | 1.435 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1233.38; 1317.76] | J/mol×K | [977.97; 1199.52] | 
|
| Cp,gas | 1233.38 | J/mol×K | 977.97 | Joback Calculated Property |
| Cp,gas | 1250.32 | J/mol×K | 1014.90 | Joback Calculated Property |
| Cp,gas | 1265.98 | J/mol×K | 1051.82 | Joback Calculated Property |
| Cp,gas | 1280.46 | J/mol×K | 1088.75 | Joback Calculated Property |
| Cp,gas | 1293.86 | J/mol×K | 1125.67 | Joback Calculated Property |
| Cp,gas | 1306.26 | J/mol×K | 1162.60 | Joback Calculated Property |
| Cp,gas | 1317.76 | J/mol×K | 1199.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, tetradecyl ester.
Sources
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