- InChI
- InChI=1S/C27H42F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-34-25(32)22-31(2)26(33)23-19-16-17-20-24(23)27(28,29)30/h16-17,19-20H,3-15,18,21-22H2,1-2H3
- InChI Key
- FWJHGWVQUFGBEX-UHFFFAOYSA-N
- Formula
- C27H42F3NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CN(C)C(=
O)c1ccccc1C(F)(F)F - Molecular Weight1
- 485.62
- 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).
- 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 | 1.2071 | Relay (1.0) Calculated Property | |
| ΔfG° | -554.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1387.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.802 | Crippen Calculated Property | |
| McVol | 391.830 | ml/mol | McGowan Calculated Property |
| Pc | 814.93 | kPa | Joback Calculated Property |
| Tboil | 689.72 | K | Relay (1.0) Calculated Property |
| Tc | 886.08 | K | Relay (1.0) Calculated Property |
| Tfus | 332.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.469 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1340.88; 1434.83] | J/mol×K | [986.00; 1212.34] | 
|
| Cp,gas | 1340.88 | J/mol×K | 986.00 | Joback Calculated Property |
| Cp,gas | 1359.54 | J/mol×K | 1023.72 | Joback Calculated Property |
| Cp,gas | 1376.84 | J/mol×K | 1061.45 | Joback Calculated Property |
| Cp,gas | 1392.90 | J/mol×K | 1099.17 | Joback Calculated Property |
| Cp,gas | 1407.84 | J/mol×K | 1136.89 | Joback Calculated Property |
| Cp,gas | 1421.78 | J/mol×K | 1174.62 | Joback Calculated Property |
| Cp,gas | 1434.83 | J/mol×K | 1212.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-trifluoromethylbenzoyl)-, hexadecyl ester.
Sources
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