- InChI
- InChI=1S/C17H22F3NO3/c1-2-3-4-5-12-24-15(22)10-11-21-16(23)13-6-8-14(9-7-13)17(18,19)20/h6-9H,2-5,10-12H2,1H3,(H,21,23)
- InChI Key
- PHBHSMVQPXUMRW-UHFFFAOYSA-N
- Formula
- C17H22F3NO3
- SMILES
-
CCCCCCOC(=O)CCNC(=O)c1ccc(C(F)
(F)F)cc1 - Molecular Weight1
- 345.36
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8806 | Relay (1.0) Calculated Property | |
| ΔfG° | -660.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1244.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.949 | Crippen Calculated Property | |
| McVol | 250.930 | ml/mol | McGowan Calculated Property |
| Pc | 1564.75 | kPa | Joback Calculated Property |
| Inp | 2210.00 | NIST | |
| Tboil | 624.98 | K | Relay (1.0) Calculated Property |
| Tc | 825.45 | K | Relay (1.0) Calculated Property |
| Tfus | 352.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.917 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [757.65; 827.66] | J/mol×K | [794.93; 988.51] | 
|
| Cp,gas | 757.65 | J/mol×K | 794.93 | Joback Calculated Property |
| Cp,gas | 771.49 | J/mol×K | 827.19 | Joback Calculated Property |
| Cp,gas | 784.40 | J/mol×K | 859.46 | Joback Calculated Property |
| Cp,gas | 796.43 | J/mol×K | 891.72 | Joback Calculated Property |
| Cp,gas | 807.62 | J/mol×K | 923.98 | Joback Calculated Property |
| Cp,gas | 818.01 | J/mol×K | 956.24 | Joback Calculated Property |
| Cp,gas | 827.66 | J/mol×K | 988.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(4-trifluoromethylbenzoyl)-, hexyl ester.
Sources
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