- InChI
- InChI=1S/C30H50O3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-30(8)19-17-27-20-28(32-26(7)31)24(5)25(6)29(27)33-30/h20-23H,9-19H2,1-8H3
- InChI Key
- FOYKKGHVWRFIBD-UHFFFAOYSA-N
- Formula
- C30H50O3
- SMILES
-
CC(=O)Oc1cc2c(c(C)c1C)OC(C)(CC
CC(C)CCCC(C)CCCC(C)C)CC2 - Molecular Weight1
- 458.72
- 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° | -8.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -782.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.73 | kJ/mol | Joback Calculated Property |
| log10WS | -10.06 | Crippen Calculated Property | |
| logPoct/wat | 8.752 | Crippen Calculated Property | |
| McVol | 412.250 | ml/mol | McGowan Calculated Property |
| Pc | 786.39 | kPa | Joback Calculated Property |
| Inp | [3118.00; 3118.00] |
|
|
| Inp | 3118.00 | NIST | |
| Inp | 3118.00 | NIST | |
| Tboil | 1045.57 | K | Joback Calculated Property |
| Tc | 1280.58 | K | Joback Calculated Property |
| Tfus | 596.41 | K | Joback Calculated Property |
| Vc | 1.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1485.38; 1643.67] | J/mol×K | [1045.57; 1280.58] |
|
| Cp,gas | 1485.38 | J/mol×K | 1045.57 | Joback Calculated Property |
| Cp,gas | 1511.89 | J/mol×K | 1084.74 | Joback Calculated Property |
| Cp,gas | 1538.07 | J/mol×K | 1123.91 | Joback Calculated Property |
| Cp,gas | 1564.14 | J/mol×K | 1163.08 | Joback Calculated Property |
| Cp,gas | 1590.29 | J/mol×K | 1202.25 | Joback Calculated Property |
| Cp,gas | 1616.73 | J/mol×K | 1241.42 | Joback Calculated Property |
| Cp,gas | 1643.67 | J/mol×K | 1280.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-«gamma»-Tocopherol, O-acetyl-.
Sources
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