- InChI
- InChI=1S/C24H45F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-23(28)24(25,26)27/h2-22H2,1H3
- InChI Key
- CNPFIRPKOQTKAO-UHFFFAOYSA-N
- Formula
- C24H45F3O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(
F)(F)F - Molecular Weight1
- 422.61
- Other Names
-
- Docosyl 2,2,2-trifluoroacetate
- 1-Docosanol, trifluoroacetate
- 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 | 1.0903 | Relay (1.0) Calculated Property | |
| ΔfG° | -664.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1425.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.914 | Crippen Calculated Property | |
| McVol | 361.770 | ml/mol | McGowan Calculated Property |
| Pc | 775.05 | kPa | Joback Calculated Property |
| Inp | [2393.70; 2393.70] |
|
|
| Inp | 2393.70 | NIST | |
| Inp | 2393.70 | NIST | |
| Tboil | 612.05 | K | Relay (1.0) Calculated Property |
| Tc | 743.92 | K | Relay (1.0) Calculated Property |
| Tfus | 309.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.402 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1179.16; 1289.64] | J/mol×K | [819.39; 1003.83] |
|
| Cp,gas | 1179.16 | J/mol×K | 819.39 | Joback Calculated Property |
| Cp,gas | 1200.28 | J/mol×K | 850.13 | Joback Calculated Property |
| Cp,gas | 1220.25 | J/mol×K | 880.87 | Joback Calculated Property |
| Cp,gas | 1239.12 | J/mol×K | 911.61 | Joback Calculated Property |
| Cp,gas | 1256.94 | J/mol×K | 942.35 | Joback Calculated Property |
| Cp,gas | 1273.76 | J/mol×K | 973.09 | Joback Calculated Property |
| Cp,gas | 1289.64 | J/mol×K | 1003.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Docosyl trifluoroacetate.
Sources
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