- InChI
- InChI=1S/C30H53F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-39-27(38)28(31,32)29(33,34)30(35,36)37/h2-26H2,1H3
- InChI Key
- QHZFIZAXWYXCPT-UHFFFAOYSA-N
- Formula
- C30H53F7O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=
O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 578.73
- Other Names
-
- Hexacosyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Hexacosanol, heptafluorobutyrate
- Hexacosyl 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 | 1.3182 | Relay (1.0) Calculated Property | |
| ΔfG° | -1387.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2359.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.745 | Crippen Calculated Property | |
| McVol | 453.390 | ml/mol | McGowan Calculated Property |
| Pc | 538.33 | kPa | Joback Calculated Property |
| Inp | 2792.10 | NIST | |
| Tboil | 650.15 | K | Relay (1.0) Calculated Property |
| Tc | 757.33 | K | Relay (1.0) Calculated Property |
| Tfus | 300.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.734 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1594.55; 1733.93] | J/mol×K | [947.29; 1195.69] | 
|
| Cp,gas | 1594.55 | J/mol×K | 947.29 | Joback Calculated Property |
| Cp,gas | 1621.45 | J/mol×K | 988.69 | Joback Calculated Property |
| Cp,gas | 1646.57 | J/mol×K | 1030.09 | Joback Calculated Property |
| Cp,gas | 1670.15 | J/mol×K | 1071.49 | Joback Calculated Property |
| Cp,gas | 1692.42 | J/mol×K | 1112.89 | Joback Calculated Property |
| Cp,gas | 1713.60 | J/mol×K | 1154.29 | Joback Calculated Property |
| Cp,gas | 1733.93 | J/mol×K | 1195.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexacosyl heptafluorobutyrate.
Sources
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