- InChI
- InChI=1S/C31H55F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-40-28(39)29(32,33)30(34,35)31(36,37)38/h2-27H2,1H3
- InChI Key
- FWXWZVBDHSMBHR-UHFFFAOYSA-N
- Formula
- C31H55F7O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCOC(
=O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 592.76
- Other Names
-
- Heptacosyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Heptacosanol, heptafluorobutyrate
- Heptacosyl 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° | -1378.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2326.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.15 | kJ/mol | Joback Calculated Property |
| log10WS | -12.95 | Crippen Calculated Property | |
| logPoct/wat | 12.135 | Crippen Calculated Property | |
| McVol | 467.480 | ml/mol | McGowan Calculated Property |
| Pc | 515.12 | kPa | Joback Calculated Property |
| Inp | [2891.60; 2891.60] |
|
|
| Inp | 2891.60 | NIST | |
| Inp | 2891.60 | NIST | |
| Tboil | 970.17 | K | Joback Calculated Property |
| Tc | 1234.36 | K | Joback Calculated Property |
| Tfus | 522.68 | K | Joback Calculated Property |
| Vc | 1.889 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1660.57; 1808.19] | J/mol×K | [970.17; 1234.36] |
|
| Cp,gas | 1660.57 | J/mol×K | 970.17 | Joback Calculated Property |
| Cp,gas | 1689.02 | J/mol×K | 1014.20 | Joback Calculated Property |
| Cp,gas | 1715.56 | J/mol×K | 1058.23 | Joback Calculated Property |
| Cp,gas | 1740.46 | J/mol×K | 1102.26 | Joback Calculated Property |
| Cp,gas | 1764.02 | J/mol×K | 1146.30 | Joback Calculated Property |
| Cp,gas | 1786.50 | J/mol×K | 1190.33 | Joback Calculated Property |
| Cp,gas | 1808.19 | J/mol×K | 1234.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosyl heptafluorobutyrate.
Sources
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