- InChI
- InChI=1S/C26H45F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-23(34)24(27,28)25(29,30)26(31,32)33/h2-22H2,1H3
- InChI Key
- YZLMIVGAAHMMQN-UHFFFAOYSA-N
- Formula
- C26H45F7O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(
F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 522.62
- Other Names
-
- Docosyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Docosanol, heptafluorobutyrate
- Docosyl perfluorobutyrate
- 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 | 1.1769 | Relay (1.0) Calculated Property | |
| ΔfG° | -1421.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2281.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.184 | Crippen Calculated Property | |
| McVol | 397.030 | ml/mol | McGowan Calculated Property |
| Pc | 648.78 | kPa | Joback Calculated Property |
| Inp | 2412.80 | NIST | |
| Tboil | 617.02 | K | Relay (1.0) Calculated Property |
| Tc | 724.64 | K | Relay (1.0) Calculated Property |
| Tfus | 292.01 | K | Relay (1.0) Calculated Property |
| Vc | 1.516 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1335.65; 1450.55] | J/mol×K | [855.77; 1056.21] | 
|
| Cp,gas | 1335.65 | J/mol×K | 855.77 | Joback Calculated Property |
| Cp,gas | 1357.71 | J/mol×K | 889.18 | Joback Calculated Property |
| Cp,gas | 1378.45 | J/mol×K | 922.58 | Joback Calculated Property |
| Cp,gas | 1398.00 | J/mol×K | 955.99 | Joback Calculated Property |
| Cp,gas | 1416.46 | J/mol×K | 989.40 | Joback Calculated Property |
| Cp,gas | 1433.94 | J/mol×K | 1022.80 | Joback Calculated Property |
| Cp,gas | 1450.55 | J/mol×K | 1056.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Docosyl heptafluorobutyrate.
Sources
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