- InChI
- InChI=1S/C26H39F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-34-25(33)20(2)31-24(32)22-19-21(27)16-17-23(22)26(28,29)30/h16-17,19-20H,3-15,18H2,1-2H3,(H,31,32)
- InChI Key
- ZYGXVCVCAPBATN-UHFFFAOYSA-N
- Formula
- C26H39F4NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(C)NC(=O
)c1cc(F)ccc1C(F)(F)F - Molecular Weight1
- 489.59
- 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 | 1.1769 | Relay (1.0) Calculated Property | |
| ΔfG° | -791.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1607.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.597 | Crippen Calculated Property | |
| McVol | 379.510 | ml/mol | McGowan Calculated Property |
| Pc | 843.09 | kPa | Joback Calculated Property |
| Inp | 2952.00 | NIST | |
| Tboil | 673.19 | K | Relay (1.0) Calculated Property |
| Tc | 885.42 | K | Relay (1.0) Calculated Property |
| Tfus | 363.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.406 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1301.99; 1386.62] | J/mol×K | [1004.66; 1236.91] | 
|
| Cp,gas | 1301.99 | J/mol×K | 1004.66 | Joback Calculated Property |
| Cp,gas | 1319.28 | J/mol×K | 1043.37 | Joback Calculated Property |
| Cp,gas | 1335.16 | J/mol×K | 1082.08 | Joback Calculated Property |
| Cp,gas | 1349.72 | J/mol×K | 1120.78 | Joback Calculated Property |
| Cp,gas | 1363.09 | J/mol×K | 1159.49 | Joback Calculated Property |
| Cp,gas | 1375.35 | J/mol×K | 1198.20 | Joback Calculated Property |
| Cp,gas | 1386.62 | J/mol×K | 1236.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, pentadecyl ester.
Sources
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