- InChI
- InChI=1S/C20H28F3NO3/c1-2-3-4-5-6-7-8-14-27-18(25)12-13-24-19(26)16-10-9-11-17(15-16)20(21,22)23/h9-11,15H,2-8,12-14H2,1H3,(H,24,26)
- InChI Key
- AWBYTQJZYZZDCU-UHFFFAOYSA-N
- Formula
- C20H28F3NO3
- SMILES
-
CCCCCCCCCOC(=O)CCNC(=O)c1cccc(
C(F)(F)F)c1 - Molecular Weight1
- 387.44
- 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° | -634.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1132.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.64 | kJ/mol | Joback Calculated Property |
| log10WS | -6.39 | Crippen Calculated Property | |
| logPoct/wat | 5.119 | Crippen Calculated Property | |
| McVol | 293.200 | ml/mol | McGowan Calculated Property |
| Pc | 1261.06 | kPa | Joback Calculated Property |
| Inp | 2532.00 | NIST | |
| Tboil | 863.57 | K | Joback Calculated Property |
| Tc | 1061.28 | K | Joback Calculated Property |
| Tfus | 533.04 | K | Joback Calculated Property |
| Vc | 1.155 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [930.66; 1005.47] | J/mol×K | [863.57; 1061.28] | 
|
| Cp,gas | 930.66 | J/mol×K | 863.57 | Joback Calculated Property |
| Cp,gas | 945.48 | J/mol×K | 896.52 | Joback Calculated Property |
| Cp,gas | 959.29 | J/mol×K | 929.47 | Joback Calculated Property |
| Cp,gas | 972.14 | J/mol×K | 962.43 | Joback Calculated Property |
| Cp,gas | 984.08 | J/mol×K | 995.38 | Joback Calculated Property |
| Cp,gas | 995.18 | J/mol×K | 1028.33 | Joback Calculated Property |
| Cp,gas | 1005.47 | J/mol×K | 1061.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, nonyl ester.
Sources
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