- InChI
- InChI=1S/C28H43F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-36-27(35)22(2)33-26(34)23-19-18-20-24(25(23)29)28(30,31)32/h18-20,22H,3-17,21H2,1-2H3,(H,33,34)
- InChI Key
- FATOEHOLHVNEBA-UHFFFAOYSA-N
- Formula
- C28H43F4NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(
=O)c1cccc(C(F)(F)F)c1F - Molecular Weight1
- 517.64
- 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 | 1.2482 | Relay (1.0) Calculated Property | |
| ΔfG° | -774.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1633.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.377 | Crippen Calculated Property | |
| McVol | 407.690 | ml/mol | McGowan Calculated Property |
| Pc | 756.40 | kPa | Joback Calculated Property |
| Inp | 3160.00 | NIST | |
| Tboil | 689.21 | K | Relay (1.0) Calculated Property |
| Tc | 899.90 | K | Relay (1.0) Calculated Property |
| Tfus | 362.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.511 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1427.57; 1517.76] | J/mol×K | [1050.42; 1303.74] | 
|
| Cp,gas | 1427.57 | J/mol×K | 1050.42 | Joback Calculated Property |
| Cp,gas | 1446.20 | J/mol×K | 1092.64 | Joback Calculated Property |
| Cp,gas | 1463.18 | J/mol×K | 1134.86 | Joback Calculated Property |
| Cp,gas | 1478.69 | J/mol×K | 1177.08 | Joback Calculated Property |
| Cp,gas | 1492.85 | J/mol×K | 1219.30 | Joback Calculated Property |
| Cp,gas | 1505.83 | J/mol×K | 1261.52 | Joback Calculated Property |
| Cp,gas | 1517.76 | J/mol×K | 1303.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester.
Sources
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