- InChI
- InChI=1S/C33H49F7O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-30(8)19-17-26-25(7)27(23(5)24(6)28(26)43-30)42-29(41)31(34,35)32(36,37)33(38,39)40/h20-22H,9-19H2,1-8H3
- InChI Key
- XCBODWISQPHZDL-UHFFFAOYSA-N
- Formula
- C33H49F7O3
- SMILES
-
Cc1c(C)c2c(c(C)c1OC(=O)C(F)(F)
C(F)(F)C(F)(F)F)CCC(C)(CCCC(C) CCCC(C)CCCC(C)C)O2 - Molecular Weight1
- 626.73
- 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 | 1.1326 | Relay (1.0) Calculated Property | |
| ΔfG° | -1348.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2399.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.873 | Crippen Calculated Property | |
| McVol | 466.910 | ml/mol | McGowan Calculated Property |
| Pc | 587.13 | kPa | Joback Calculated Property |
| Inp | 2953.00 | NIST | |
| Tboil | 707.45 | K | Relay (1.0) Calculated Property |
| Tc | 889.07 | K | Relay (1.0) Calculated Property |
| Tfus | 329.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.732 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1734.87; 1954.71] | J/mol×K | [1104.39; 1377.18] | 
|
| Cp,gas | 1734.87 | J/mol×K | 1104.39 | Joback Calculated Property |
| Cp,gas | 1767.93 | J/mol×K | 1149.85 | Joback Calculated Property |
| Cp,gas | 1801.79 | J/mol×K | 1195.32 | Joback Calculated Property |
| Cp,gas | 1836.94 | J/mol×K | 1240.78 | Joback Calculated Property |
| Cp,gas | 1873.82 | J/mol×K | 1286.25 | Joback Calculated Property |
| Cp,gas | 1912.93 | J/mol×K | 1331.71 | Joback Calculated Property |
| Cp,gas | 1954.71 | J/mol×K | 1377.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-«alpha»-Tocopherol, O-heptafluorobutyryl-.
Sources
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