- InChI
- InChI=1S/C30H47F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-38-29(37)24(2)35-28(36)26-23-25(30(32,33)34)20-21-27(26)31/h20-21,23-24H,3-19,22H2,1-2H3,(H,35,36)
- InChI Key
- LXMTZBYXIQHEBR-UHFFFAOYSA-N
- Formula
- C30H47F4NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCCOC(=O)C(C)N
C(=O)c1cc(C(F)(F)F)ccc1F - Molecular Weight1
- 545.69
- 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° | -757.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1551.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 77.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.36 | kJ/mol | Joback Calculated Property |
| log10WS | -11.02 | Crippen Calculated Property | |
| logPoct/wat | 9.158 | Crippen Calculated Property | |
| McVol | 435.870 | ml/mol | McGowan Calculated Property |
| Pc | 682.43 | kPa | Joback Calculated Property |
| Inp | 3334.00 | NIST | |
| Tboil | 1096.18 | K | Joback Calculated Property |
| Tc | 1376.59 | K | Joback Calculated Property |
| Tfus | 643.85 | K | Joback Calculated Property |
| Vc | 1.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1554.75; 1651.99] | J/mol×K | [1096.18; 1376.59] | 
|
| Cp,gas | 1554.75 | J/mol×K | 1096.18 | Joback Calculated Property |
| Cp,gas | 1575.00 | J/mol×K | 1142.92 | Joback Calculated Property |
| Cp,gas | 1593.34 | J/mol×K | 1189.65 | Joback Calculated Property |
| Cp,gas | 1610.00 | J/mol×K | 1236.39 | Joback Calculated Property |
| Cp,gas | 1625.18 | J/mol×K | 1283.12 | Joback Calculated Property |
| Cp,gas | 1639.11 | J/mol×K | 1329.86 | Joback Calculated Property |
| Cp,gas | 1651.99 | J/mol×K | 1376.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, nonadecyl ester.
Sources
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