- InChI
- InChI=1S/C24H35F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-32-23(31)18(2)29-22(30)19-15-14-16-20(21(19)25)24(26,27)28/h14-16,18H,3-13,17H2,1-2H3,(H,29,30)
- InChI Key
- QLSUXRKNXJLNRH-UHFFFAOYSA-N
- Formula
- C24H35F4NO3
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(C)NC(=O)c
1cccc(C(F)(F)F)c1F - Molecular Weight1
- 461.53
- 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 | 1.1032 | Relay (1.0) Calculated Property | |
| ΔfG° | -807.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1558.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.817 | Crippen Calculated Property | |
| McVol | 351.330 | ml/mol | McGowan Calculated Property |
| Pc | 945.58 | kPa | Joback Calculated Property |
| Inp | 2753.00 | NIST | |
| Tboil | 660.27 | K | Relay (1.0) Calculated Property |
| Tc | 869.58 | K | Relay (1.0) Calculated Property |
| Tfus | 355.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.298 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1178.25; 1258.37] | J/mol×K | [958.90; 1175.24] | 
|
| Cp,gas | 1178.25 | J/mol×K | 958.90 | Joback Calculated Property |
| Cp,gas | 1194.46 | J/mol×K | 994.96 | Joback Calculated Property |
| Cp,gas | 1209.41 | J/mol×K | 1031.01 | Joback Calculated Property |
| Cp,gas | 1223.21 | J/mol×K | 1067.07 | Joback Calculated Property |
| Cp,gas | 1235.91 | J/mol×K | 1103.13 | Joback Calculated Property |
| Cp,gas | 1247.60 | J/mol×K | 1139.18 | Joback Calculated Property |
| Cp,gas | 1258.37 | J/mol×K | 1175.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tridecyl ester.
Sources
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