- InChI
- InChI=1S/C30H47F3O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-29(7)18-16-25-19-26(35-28(34)30(31,32)33)23(5)24(6)27(25)36-29/h19-22H,8-18H2,1-7H3
- InChI Key
- OWMUJRCXUOSNAV-UHFFFAOYSA-N
- Formula
- C30H47F3O3
- SMILES
-
Cc1c(OC(=O)C(F)(F)F)cc2c(c1C)O
C(C)(CCCC(C)CCCC(C)CCCC(C)C)CC 2 - Molecular Weight1
- 512.69
- 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 | 1.0371 | Relay (1.0) Calculated Property | |
| ΔfG° | -590.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1516.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.294 | Crippen Calculated Property | |
| McVol | 417.560 | ml/mol | McGowan Calculated Property |
| Pc | 737.62 | kPa | Joback Calculated Property |
| Inp | [2833.00; 2833.00] |
|
|
| Inp | 2833.00 | NIST | |
| Inp | 2833.00 | NIST | |
| Tboil | 691.31 | K | Relay (1.0) Calculated Property |
| Tc | 886.48 | K | Relay (1.0) Calculated Property |
| Tfus | 338.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.535 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1503.84; 1664.73] | J/mol×K | [1040.15; 1276.46] |
|
| Cp,gas | 1503.84 | J/mol×K | 1040.15 | Joback Calculated Property |
| Cp,gas | 1530.23 | J/mol×K | 1079.54 | Joback Calculated Property |
| Cp,gas | 1556.46 | J/mol×K | 1118.92 | Joback Calculated Property |
| Cp,gas | 1582.79 | J/mol×K | 1158.31 | Joback Calculated Property |
| Cp,gas | 1609.45 | J/mol×K | 1197.69 | Joback Calculated Property |
| Cp,gas | 1636.69 | J/mol×K | 1237.08 | Joback Calculated Property |
| Cp,gas | 1664.73 | J/mol×K | 1276.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-«gamma»-Tocophero, O-trifluoroacetyl-.
Sources
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