- InChI
- InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3
- InChI Key
- QUEDXNHFTDJVIY-UHFFFAOYSA-N
- Formula
- C28H48O2
- SMILES
-
Cc1c(O)cc2c(c1C)OC(C)(CCCC(C)C
CCC(C)CCCC(C)C)CC2 - Molecular Weight1
- 416.68
- CAS
- 7616-22-0
- Other Names
-
- 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-
- 6-Chromanol, 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-
- «gamma»-Tokoferol
- o-Xylotocopherol
- 7,8-Dimethyltocol
- 3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
- 7,8-Dimethyltocolo-xylotocopherol
- (+)-.gamma.-Tocopherol
- 2,7,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
- 3,4-dihydro-2,7,8-trimethyl-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° | 63.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -662.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.48 | kJ/mol | Joback Calculated Property |
| log10WS | -9.29 | Crippen Calculated Property | |
| logPoct/wat | 8.532 | Crippen Calculated Property | |
| McVol | 382.500 | ml/mol | McGowan Calculated Property |
| Pc | 943.26 | kPa | Joback Calculated Property |
| Inp | [3055.00; 3074.20] |
|
|
| Inp | 3055.00 | NIST | |
| Inp | 3074.20 | NIST | |
| Inp | 3074.20 | NIST | |
| Inp | 3055.00 | NIST | |
| Tboil | 999.16 | K | Joback Calculated Property |
| Tc | 1224.33 | K | Joback Calculated Property |
| Tfus | 600.91 | K | Joback Calculated Property |
| Vc | 1.411 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1368.02; 1539.38] | J/mol×K | [999.16; 1224.33] |
|
| Cp,gas | 1368.02 | J/mol×K | 999.16 | Joback Calculated Property |
| Cp,gas | 1395.17 | J/mol×K | 1036.69 | Joback Calculated Property |
| Cp,gas | 1422.57 | J/mol×K | 1074.22 | Joback Calculated Property |
| Cp,gas | 1450.44 | J/mol×K | 1111.74 | Joback Calculated Property |
| Cp,gas | 1479.04 | J/mol×K | 1149.27 | Joback Calculated Property |
| Cp,gas | 1508.61 | J/mol×K | 1186.80 | Joback Calculated Property |
| Cp,gas | 1539.38 | J/mol×K | 1224.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «gamma»-Tocopherol.
Sources
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