- InChI
- InChI=1S/C25H43F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34-22(33)23(26,27)24(28,29)25(30,31)32/h2-21H2,1H3
- InChI Key
- RFTHPDMPTLHVMV-UHFFFAOYSA-N
- Formula
- C25H43F7O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCOC(=O)C(F
)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 508.60
- Other Names
-
- Heneicosyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Heneicosanol, heptafluorobutyrate
- Heneicosyl 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° | -1429.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2203.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.79 | kJ/mol | Joback Calculated Property |
| log10WS | -10.44 | Crippen Calculated Property | |
| logPoct/wat | 9.794 | Crippen Calculated Property | |
| McVol | 382.940 | ml/mol | McGowan Calculated Property |
| Pc | 681.71 | kPa | Joback Calculated Property |
| Inp | 2318.60 | NIST | |
| Tboil | 832.89 | K | Joback Calculated Property |
| Tc | 1024.54 | K | Joback Calculated Property |
| Tfus | 455.06 | K | Joback Calculated Property |
| Vc | 1.552 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1272.39; 1382.71] | J/mol×K | [832.89; 1024.54] | 
|
| Cp,gas | 1272.39 | J/mol×K | 832.89 | Joback Calculated Property |
| Cp,gas | 1293.51 | J/mol×K | 864.83 | Joback Calculated Property |
| Cp,gas | 1313.42 | J/mol×K | 896.77 | Joback Calculated Property |
| Cp,gas | 1332.20 | J/mol×K | 928.72 | Joback Calculated Property |
| Cp,gas | 1349.95 | J/mol×K | 960.66 | Joback Calculated Property |
| Cp,gas | 1366.75 | J/mol×K | 992.60 | Joback Calculated Property |
| Cp,gas | 1382.71 | J/mol×K | 1024.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosyl heptafluorobutyrate.
Sources
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