- InChI
- InChI=1S/C25H45F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32-23(31)24(26,27)25(28,29)30/h2-22H2,1H3
- InChI Key
- KEKXEGYQJNXSCS-UHFFFAOYSA-N
- Formula
- C25H45F5O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(
F)(F)C(F)(F)F - Molecular Weight1
- 472.62
- Other Names
-
- Docosyl 2,2,3,3,3-pentafluoropropanoate
- 1-Docosanol, pentafluoropropionate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1042.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1802.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.72 | kJ/mol | Joback Calculated Property |
| log10WS | -10.13 | Crippen Calculated Property | |
| logPoct/wat | 9.549 | Crippen Calculated Property | |
| McVol | 379.400 | ml/mol | McGowan Calculated Property |
| Pc | 707.71 | kPa | Joback Calculated Property |
| Inp | 2384.10 | NIST | |
| Tboil | 837.58 | K | Joback Calculated Property |
| Tc | 1028.87 | K | Joback Calculated Property |
| Tfus | 451.46 | K | Joback Calculated Property |
| Vc | 1.528 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1257.43; 1369.46] | J/mol×K | [837.58; 1028.87] | 
|
| Cp,gas | 1257.43 | J/mol×K | 837.58 | Joback Calculated Property |
| Cp,gas | 1278.91 | J/mol×K | 869.46 | Joback Calculated Property |
| Cp,gas | 1299.17 | J/mol×K | 901.34 | Joback Calculated Property |
| Cp,gas | 1318.28 | J/mol×K | 933.22 | Joback Calculated Property |
| Cp,gas | 1336.31 | J/mol×K | 965.10 | Joback Calculated Property |
| Cp,gas | 1353.35 | J/mol×K | 996.98 | Joback Calculated Property |
| Cp,gas | 1369.46 | J/mol×K | 1028.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Docosyl pentafluoropropionate.
Sources
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