- InChI
- InChI=1S/C32H47F7O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-29(7)18-16-25-19-26(23(5)24(6)27(25)42-29)41-28(40)30(33,34)31(35,36)32(37,38)39/h19-22H,8-18H2,1-7H3
- InChI Key
- XSWNWWGYYJWUBG-UHFFFAOYSA-N
- Formula
- C32H47F7O3
- SMILES
-
Cc1c(OC(=O)C(F)(F)C(F)(F)C(F)(
F)F)cc2c(c1C)OC(C)(CCCC(C)CCCC (C)CCCC(C)C)CC2 - Molecular Weight1
- 612.70
- 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° | -1346.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2222.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.58 | kJ/mol | Joback Calculated Property |
| log10WS | -12.18 | Crippen Calculated Property | |
| logPoct/wat | 10.565 | Crippen Calculated Property | |
| McVol | 452.820 | ml/mol | McGowan Calculated Property |
| Pc | 620.03 | kPa | Joback Calculated Property |
| Inp | [2852.00; 2852.00] |
|
|
| Inp | 2852.00 | NIST | |
| Inp | 2852.00 | NIST | |
| Tboil | 1076.53 | K | Joback Calculated Property |
| Tc | 1334.91 | K | Joback Calculated Property |
| Tfus | 630.34 | K | Joback Calculated Property |
| Vc | 1.786 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1664.76; 1863.37] | J/mol×K | [1076.53; 1334.91] |
|
| Cp,gas | 1664.76 | J/mol×K | 1076.53 | Joback Calculated Property |
| Cp,gas | 1695.11 | J/mol×K | 1119.59 | Joback Calculated Property |
| Cp,gas | 1726.02 | J/mol×K | 1162.66 | Joback Calculated Property |
| Cp,gas | 1757.90 | J/mol×K | 1205.72 | Joback Calculated Property |
| Cp,gas | 1791.15 | J/mol×K | 1248.78 | Joback Calculated Property |
| Cp,gas | 1826.17 | J/mol×K | 1291.85 | Joback Calculated Property |
| Cp,gas | 1863.37 | J/mol×K | 1334.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-«gamma»-Tocopherol, O-heptafluorobutyryl-.
Sources
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