- InChI
- InChI=1S/C27H42F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-34-25(32)20-21-31-26(33)23-16-18-24(19-17-23)27(28,29)30/h16-19H,2-15,20-22H2,1H3,(H,31,33)
- InChI Key
- XXWMNUOYDQEQSB-UHFFFAOYSA-N
- Formula
- C27H42F3NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCNC(=O)
c1ccc(C(F)(F)F)cc1 - Molecular Weight1
- 485.62
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 1.2503 | Relay (1.0) Calculated Property | |
| ΔfG° | -575.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1438.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.850 | Crippen Calculated Property | |
| McVol | 391.830 | ml/mol | McGowan Calculated Property |
| Pc | 821.95 | kPa | Joback Calculated Property |
| Tboil | 702.29 | K | Relay (1.0) Calculated Property |
| Tc | 908.14 | K | Relay (1.0) Calculated Property |
| Tfus | 364.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.458 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1358.38; 1448.09] | J/mol×K | [1023.73; 1262.40] | 
|
| Cp,gas | 1358.38 | J/mol×K | 1023.73 | Joback Calculated Property |
| Cp,gas | 1376.51 | J/mol×K | 1063.51 | Joback Calculated Property |
| Cp,gas | 1393.19 | J/mol×K | 1103.29 | Joback Calculated Property |
| Cp,gas | 1408.57 | J/mol×K | 1143.07 | Joback Calculated Property |
| Cp,gas | 1422.76 | J/mol×K | 1182.84 | Joback Calculated Property |
| Cp,gas | 1435.89 | J/mol×K | 1222.62 | Joback Calculated Property |
| Cp,gas | 1448.09 | J/mol×K | 1262.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, hexadecyl ester.
Sources
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