- InChI
- InChI=1S/C32H57F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-41-29(40)30(33,34)31(35,36)32(37,38)39/h2-28H2,1H3
- InChI Key
- LUZCOQCDQZIGAN-UHFFFAOYSA-N
- Formula
- C32H57F7O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC
(=O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 606.78
- Other Names
-
- Octacosyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Octacosanol, heptafluorobutyrate
- Octacosyl perfluorobutyrate
- 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° | -1370.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2347.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 80.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.37 | kJ/mol | Joback Calculated Property |
| log10WS | -13.37 | Crippen Calculated Property | |
| logPoct/wat | 12.525 | Crippen Calculated Property | |
| McVol | 481.570 | ml/mol | McGowan Calculated Property |
| Pc | 493.39 | kPa | Joback Calculated Property |
| Inp | [2983.40; 2983.40] |
|
|
| Inp | 2983.40 | NIST | |
| Inp | 2983.40 | NIST | |
| Tboil | 993.05 | K | Joback Calculated Property |
| Tc | 1274.81 | K | Joback Calculated Property |
| Tfus | 533.95 | K | Joback Calculated Property |
| Vc | 1.944 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1727.05; 1884.12] | J/mol×K | [993.05; 1274.81] |
|
| Cp,gas | 1727.05 | J/mol×K | 993.05 | Joback Calculated Property |
| Cp,gas | 1757.23 | J/mol×K | 1040.01 | Joback Calculated Property |
| Cp,gas | 1785.34 | J/mol×K | 1086.97 | Joback Calculated Property |
| Cp,gas | 1811.74 | J/mol×K | 1133.93 | Joback Calculated Property |
| Cp,gas | 1836.77 | J/mol×K | 1180.89 | Joback Calculated Property |
| Cp,gas | 1860.78 | J/mol×K | 1227.85 | Joback Calculated Property |
| Cp,gas | 1884.12 | J/mol×K | 1274.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octacosyl heptafluorobutyrate.
Sources
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