- InChI
- InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3
- InChI Key
- GVJHHUAWPYXKBD-UHFFFAOYSA-N
- Formula
- C29H50O2
- SMILES
-
Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC
(C)CCCC(C)CCCC(C)C)O2 - Molecular Weight1
- 430.71
- CAS
- 10191-41-0
- Other Names
-
- (.+/-.)-«alpha»-Tocopherol
- 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-
- 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-
- 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
- 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° | 62.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.37 | kJ/mol | Joback Calculated Property |
| log10WS | -9.77 | Crippen Calculated Property | |
| logPoct/wat | 8.840 | Crippen Calculated Property | |
| McVol | 396.590 | ml/mol | McGowan Calculated Property |
| Pc | 882.09 | kPa | Joback Calculated Property |
| Inp | [3149.50; 3149.50] |
|
|
| Inp | 3149.50 | NIST | |
| Inp | 3149.50 | NIST | |
| Tboil | 1027.02 | K | Joback Calculated Property |
| Tc | 1257.43 | K | Joback Calculated Property |
| Tfus | 624.70 | K | Joback Calculated Property |
| Vc | 1.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1437.29; 1619.91] | J/mol×K | [1027.02; 1257.43] |
|
| Cp,gas | 1437.29 | J/mol×K | 1027.02 | Joback Calculated Property |
| Cp,gas | 1465.97 | J/mol×K | 1065.42 | Joback Calculated Property |
| Cp,gas | 1495.02 | J/mol×K | 1103.82 | Joback Calculated Property |
| Cp,gas | 1524.68 | J/mol×K | 1142.22 | Joback Calculated Property |
| Cp,gas | 1555.22 | J/mol×K | 1180.63 | Joback Calculated Property |
| Cp,gas | 1586.87 | J/mol×K | 1219.03 | Joback Calculated Property |
| Cp,gas | 1619.91 | J/mol×K | 1257.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to dl-«alpha»-Tocopherol.
Sources
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