- InChI
- InChI=1S/C21H30F3NO3/c1-2-3-4-5-6-7-8-9-15-28-19(26)13-14-25-20(27)17-11-10-12-18(16-17)21(22,23)24/h10-12,16H,2-9,13-15H2,1H3,(H,25,27)
- InChI Key
- SLTRGONNPNBSKM-UHFFFAOYSA-N
- Formula
- C21H30F3NO3
- SMILES
-
CCCCCCCCCCOC(=O)CCNC(=O)c1cccc
(C(F)(F)F)c1 - Molecular Weight1
- 401.46
- 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° | -626.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1152.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.87 | kJ/mol | Joback Calculated Property |
| log10WS | -6.81 | Crippen Calculated Property | |
| logPoct/wat | 5.509 | Crippen Calculated Property | |
| McVol | 307.290 | ml/mol | McGowan Calculated Property |
| Pc | 1179.28 | kPa | Joback Calculated Property |
| Inp | 2634.00 | NIST | |
| Tboil | 886.45 | K | Joback Calculated Property |
| Tc | 1087.07 | K | Joback Calculated Property |
| Tfus | 544.31 | K | Joback Calculated Property |
| Vc | 1.212 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [989.91; 1066.37] | J/mol×K | [886.45; 1087.07] | 
|
| Cp,gas | 989.91 | J/mol×K | 886.45 | Joback Calculated Property |
| Cp,gas | 1005.08 | J/mol×K | 919.89 | Joback Calculated Property |
| Cp,gas | 1019.21 | J/mol×K | 953.32 | Joback Calculated Property |
| Cp,gas | 1032.34 | J/mol×K | 986.76 | Joback Calculated Property |
| Cp,gas | 1044.54 | J/mol×K | 1020.19 | Joback Calculated Property |
| Cp,gas | 1055.86 | J/mol×K | 1053.63 | Joback Calculated Property |
| Cp,gas | 1066.37 | J/mol×K | 1087.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, decyl ester.
Sources
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