- InChI
- InChI=1S/C33H54F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-40-32(39)30(27(2)3)37-31(38)28-23-22-24-29(26-28)33(34,35)36/h22-24,26-27,30H,4-21,25H2,1-3H3,(H,37,38)
- InChI Key
- IUDXNGYYPYOTSV-UHFFFAOYSA-N
- Formula
- C33H54F3NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)C(NC
(=O)c1cccc(C(F)(F)F)c1)C(C)C - Molecular Weight1
- 569.78
- 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 | 1.3672 | Relay (1.0) Calculated Property | |
| ΔfG° | -530.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1562.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 79.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 148.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.045 | Crippen Calculated Property | |
| McVol | 476.370 | ml/mol | McGowan Calculated Property |
| Pc | 610.27 | kPa | Joback Calculated Property |
| Inp | 3569.00 | NIST | |
| Tboil | 717.45 | K | Relay (1.0) Calculated Property |
| Tc | 942.64 | K | Relay (1.0) Calculated Property |
| Tfus | 375.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.753 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1742.99; 1854.32] | J/mol×K | [1160.13; 1475.92] | 
|
| Cp,gas | 1742.99 | J/mol×K | 1160.13 | Joback Calculated Property |
| Cp,gas | 1765.63 | J/mol×K | 1212.76 | Joback Calculated Property |
| Cp,gas | 1786.17 | J/mol×K | 1265.39 | Joback Calculated Property |
| Cp,gas | 1804.94 | J/mol×K | 1318.02 | Joback Calculated Property |
| Cp,gas | 1822.32 | J/mol×K | 1370.65 | Joback Calculated Property |
| Cp,gas | 1838.66 | J/mol×K | 1423.28 | Joback Calculated Property |
| Cp,gas | 1854.32 | J/mol×K | 1475.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-trifluoromethylbenzoyl)-, eicosyl ester.
Sources
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