- InChI
- InChI=1S/C29H45F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-37-28(36)23(2)34-27(35)24-20-25(29(31,32)33)22-26(30)21-24/h20-23H,3-19H2,1-2H3,(H,34,35)
- InChI Key
- AJPOZBPJMIXUHF-UHFFFAOYSA-N
- Formula
- C29H45F4NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC
(=O)c1cc(F)cc(C(F)(F)F)c1 - Molecular Weight1
- 531.67
- 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° | -765.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1530.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.13 | kJ/mol | Joback Calculated Property |
| log10WS | -10.60 | Crippen Calculated Property | |
| logPoct/wat | 8.768 | Crippen Calculated Property | |
| McVol | 421.780 | ml/mol | McGowan Calculated Property |
| Pc | 717.99 | kPa | Joback Calculated Property |
| Inp | 3112.00 | NIST | |
| Tboil | 1073.30 | K | Joback Calculated Property |
| Tc | 1339.36 | K | Joback Calculated Property |
| Tfus | 632.58 | K | Joback Calculated Property |
| Vc | 1.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1490.98; 1584.47] | J/mol×K | [1073.30; 1339.36] | 
|
| Cp,gas | 1490.98 | J/mol×K | 1073.30 | Joback Calculated Property |
| Cp,gas | 1510.37 | J/mol×K | 1117.64 | Joback Calculated Property |
| Cp,gas | 1528.00 | J/mol×K | 1161.99 | Joback Calculated Property |
| Cp,gas | 1544.05 | J/mol×K | 1206.33 | Joback Calculated Property |
| Cp,gas | 1558.69 | J/mol×K | 1250.67 | Joback Calculated Property |
| Cp,gas | 1572.10 | J/mol×K | 1295.01 | Joback Calculated Property |
| Cp,gas | 1584.47 | J/mol×K | 1339.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(3-fluoro-5-trifluoromethylbenzoyl)-, octadecyl ester.
Sources
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