- InChI
- InChI=1S/C24H41F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-21(32)22(25,26)23(27,28)24(29,30)31/h2-20H2,1H3
- InChI Key
- GZZZUVCGQHMCOJ-UHFFFAOYSA-N
- Formula
- C24H41F7O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCOC(=O)C(F)
(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 494.57
- Other Names
-
- Eicosyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Eicosanol, heptafluorobutyrate
- Eicosyl 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 | 1.1062 | Relay (1.0) Calculated Property | |
| ΔfG° | -1437.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2241.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.404 | Crippen Calculated Property | |
| McVol | 368.850 | ml/mol | McGowan Calculated Property |
| Pc | 717.22 | kPa | Joback Calculated Property |
| Inp | 2225.80 | NIST | |
| Tboil | 599.05 | K | Relay (1.0) Calculated Property |
| Tc | 706.59 | K | Relay (1.0) Calculated Property |
| Tfus | 285.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.409 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1209.78; 1315.99] | J/mol×K | [810.01; 993.96] | 
|
| Cp,gas | 1209.78 | J/mol×K | 810.01 | Joback Calculated Property |
| Cp,gas | 1230.07 | J/mol×K | 840.67 | Joback Calculated Property |
| Cp,gas | 1249.22 | J/mol×K | 871.33 | Joback Calculated Property |
| Cp,gas | 1267.31 | J/mol×K | 901.99 | Joback Calculated Property |
| Cp,gas | 1284.41 | J/mol×K | 932.64 | Joback Calculated Property |
| Cp,gas | 1300.61 | J/mol×K | 963.30 | Joback Calculated Property |
| Cp,gas | 1315.99 | J/mol×K | 993.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eicosyl heptafluorobutyrate.
Sources
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