- InChI
- InChI=1S/C23H43F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-22(27)23(24,25)26/h2-21H2,1H3
- InChI Key
- YAOMXMSGWKCKPX-UHFFFAOYSA-N
- Formula
- C23H43F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCOC(=O)C(F
)(F)F - Molecular Weight1
- 408.58
- Other Names
-
- Heneicosyl 2,2,2-trifluoroacetate
- 1-Heneicosanol, trifluoroacetate
- 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).
- 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° | -672.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1359.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.20 | kJ/mol | Joback Calculated Property |
| log10WS | -8.98 | Crippen Calculated Property | |
| logPoct/wat | 8.524 | Crippen Calculated Property | |
| McVol | 347.680 | ml/mol | McGowan Calculated Property |
| Pc | 818.20 | kPa | Joback Calculated Property |
| Tboil | 796.51 | K | Joback Calculated Property |
| Tc | 975.17 | K | Joback Calculated Property |
| Tfus | 425.32 | K | Joback Calculated Property |
| Vc | 1.391 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1116.40; 1223.83] | J/mol×K | [796.51; 975.17] | 
|
| Cp,gas | 1116.40 | J/mol×K | 796.51 | Joback Calculated Property |
| Cp,gas | 1136.84 | J/mol×K | 826.29 | Joback Calculated Property |
| Cp,gas | 1156.21 | J/mol×K | 856.06 | Joback Calculated Property |
| Cp,gas | 1174.55 | J/mol×K | 885.84 | Joback Calculated Property |
| Cp,gas | 1191.90 | J/mol×K | 915.62 | Joback Calculated Property |
| Cp,gas | 1208.31 | J/mol×K | 945.40 | Joback Calculated Property |
| Cp,gas | 1223.83 | J/mol×K | 975.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosyl trifluoroacetate.
Sources
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