- InChI
- InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3
- InChI Key
- ZAKOWWREFLAJOT-UHFFFAOYSA-N
- Formula
- C31H52O3
- SMILES
-
CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C
)(CCCC(C)CCCC(C)CCCC(C)C)O2 - Molecular Weight1
- 472.74
- CAS
- 7695-91-2
- Other Names
-
- (+)-.alpha.-Tocopherol, O-acetyl-
- (+)-«alpha»-Tocopherol acetate
- 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl acetate
- 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate
- 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl acetate
- DL-.alpha.-tocopherol acetate
- Vitamin E acetate
- dl-«alpha»-Tocopheryl acetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 59.66 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 9.060 | Crippen Calculated Property | |
| McVol | 426.340 | ml/mol | McGowan Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1541.65; 1700.79] | J/mol×K | [1055.56; 1293.88] | 
|
| Cp,gas | 1541.65 | J/mol×K | 1055.56 | Joback Calculated Property |
| Cp,gas | 1568.50 | J/mol×K | 1095.28 | Joback Calculated Property |
| Cp,gas | 1594.94 | J/mol×K | 1135.00 | Joback Calculated Property |
| Cp,gas | 1621.18 | J/mol×K | 1174.72 | Joback Calculated Property |
| Cp,gas | 1647.43 | J/mol×K | 1214.44 | Joback Calculated Property |
| Cp,gas | 1673.89 | J/mol×K | 1254.16 | Joback Calculated Property |
| Cp,gas | 1700.79 | J/mol×K | 1293.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (.+/-.)-«alpha»-Tocopherol acetate.
Mixtures
- (.+/-.)-«alpha»-Tocopherol acetate + Carbon dioxide + Ethanol
- (.+/-.)-«alpha»-Tocopherol acetate + Carbon dioxide
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solubility of Vitamin E Acetate in Supercritical Carbon Dioxide: Measurement and Correlation
- Solubility of Vitamin E Acetate in Supercritical Carbon Dioxide with Ethanol as Cosolvent
- Joback Method
- McGowan Method
- NIST Webbook
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