- InChI
- InChI=1S/C22H31F4NO3/c1-3-4-5-6-7-8-9-10-11-15-30-21(29)16(2)27-20(28)19-17(22(24,25)26)13-12-14-18(19)23/h12-14,16H,3-11,15H2,1-2H3,(H,27,28)
- InChI Key
- BDPLHFAKLHIFJS-UHFFFAOYSA-N
- Formula
- C22H31F4NO3
- SMILES
-
CCCCCCCCCCCOC(=O)C(C)NC(=O)c1c
(F)cccc1C(F)(F)F - Molecular Weight1
- 433.48
- 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 | 1.0263 | Relay (1.0) Calculated Property | |
| ΔfG° | -824.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1510.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.037 | Crippen Calculated Property | |
| McVol | 323.150 | ml/mol | McGowan Calculated Property |
| Pc | 1067.97 | kPa | Joback Calculated Property |
| Inp | 2612.00 | NIST | |
| Tboil | 636.56 | K | Relay (1.0) Calculated Property |
| Tc | 857.46 | K | Relay (1.0) Calculated Property |
| Tfus | 355.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.190 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1056.69; 1132.99] | J/mol×K | [913.14; 1118.03] | 
|
| Cp,gas | 1056.69 | J/mol×K | 913.14 | Joback Calculated Property |
| Cp,gas | 1071.99 | J/mol×K | 947.29 | Joback Calculated Property |
| Cp,gas | 1086.17 | J/mol×K | 981.44 | Joback Calculated Property |
| Cp,gas | 1099.31 | J/mol×K | 1015.58 | Joback Calculated Property |
| Cp,gas | 1111.44 | J/mol×K | 1049.73 | Joback Calculated Property |
| Cp,gas | 1122.65 | J/mol×K | 1083.88 | Joback Calculated Property |
| Cp,gas | 1132.99 | J/mol×K | 1118.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, undecyl ester.
Sources
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