- InChI
- InChI=1S/C31H47F5O3/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)39-29)38-28(37)30(32,33)31(34,35)36/h19-22H,8-18H2,1-7H3
- InChI Key
- ZYBTUCGGJNPVBL-UHFFFAOYSA-N
- Formula
- C31H47F5O3
- SMILES
-
Cc1c(OC(=O)C(F)(F)C(F)(F)F)cc2
c(c1C)OC(C)(CCCC(C)CCCC(C)CCCC (C)C)CC2 - Molecular Weight1
- 562.70
- 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° | -968.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1801.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.28 | kJ/mol | Joback Calculated Property |
| log10WS | -11.45 | Crippen Calculated Property | |
| logPoct/wat | 9.929 | Crippen Calculated Property | |
| McVol | 435.190 | ml/mol | McGowan Calculated Property |
| Pc | 675.00 | kPa | Joback Calculated Property |
| Inp | [2827.00; 2827.00] |
|
|
| Inp | 2827.00 | NIST | |
| Inp | 2827.00 | NIST | |
| Tboil | 1058.34 | K | Joback Calculated Property |
| Tc | 1304.19 | K | Joback Calculated Property |
| Tfus | 615.47 | K | Joback Calculated Property |
| Vc | 1.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1584.04; 1760.84] | J/mol×K | [1058.34; 1304.19] |
|
| Cp,gas | 1584.04 | J/mol×K | 1058.34 | Joback Calculated Property |
| Cp,gas | 1612.09 | J/mol×K | 1099.32 | Joback Calculated Property |
| Cp,gas | 1640.30 | J/mol×K | 1140.29 | Joback Calculated Property |
| Cp,gas | 1668.97 | J/mol×K | 1181.27 | Joback Calculated Property |
| Cp,gas | 1698.41 | J/mol×K | 1222.24 | Joback Calculated Property |
| Cp,gas | 1728.93 | J/mol×K | 1263.22 | Joback Calculated Property |
| Cp,gas | 1760.84 | J/mol×K | 1304.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-«gamma»-Tocopherol, O-pentafluoropropionyl-.
Sources
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