- InChI
- InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3
- InChI Key
- GZIFEOYASATJEH-UHFFFAOYSA-N
- Formula
- C27H46O2
- SMILES
-
Cc1cc(O)cc2c1OC(C)(CCCC(C)CCCC
(C)CCCC(C)C)CC2 - Molecular Weight1
- 402.65
- CAS
- 119-13-1
- Other Names
-
- (R)-2,8-Dimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol
- .omega.-tocopherol
- 2,8-Dimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
- 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
- 2H-1-benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-
- 3,4-Dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol
- 6-chromanol, 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-
- 8-Methyltocol
- [2R[2R*(4R*,8R*)]]-3,4-dihydro-2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Tboil : Boiling point at given pressure (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 |
|---|---|---|---|
| ω | 1.0239 | Relay (1.0) Calculated Property | |
| ΔfG° | 64.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.223 | Crippen Calculated Property | |
| McVol | 368.410 | ml/mol | McGowan Calculated Property |
| Pc | 1011.02 | kPa | Joback Calculated Property |
| Inp | [2951.00; 2968.10] |
|
|
| Inp | 2951.00 | NIST | |
| Inp | 2968.10 | NIST | |
| Inp | 2951.00 | NIST | |
| Tboil | 684.35 | K | Relay (1.0) Calculated Property |
| Tc | 928.99 | K | Relay (1.0) Calculated Property |
| Tfus | 362.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.347 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1299.97; 1461.41] | J/mol×K | [971.30; 1192.37] |
|
| Cp,gas | 1299.97 | J/mol×K | 971.30 | Joback Calculated Property |
| Cp,gas | 1325.79 | J/mol×K | 1008.14 | Joback Calculated Property |
| Cp,gas | 1351.73 | J/mol×K | 1044.99 | Joback Calculated Property |
| Cp,gas | 1378.03 | J/mol×K | 1081.83 | Joback Calculated Property |
| Cp,gas | 1404.92 | J/mol×K | 1118.68 | Joback Calculated Property |
| Cp,gas | 1432.64 | J/mol×K | 1155.52 | Joback Calculated Property |
| Cp,gas | 1461.41 | J/mol×K | 1192.37 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboil | 552.60 | K | 1.10 | Boiling Points of Short-Chain Partial Acylglycerols and Tocopherols at Low Pressures by the Differential Scanning Calorimetry Technique |
Similar Compounds
Find more compounds similar to «delta»-Tocopherol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Boiling Points of Short-Chain Partial Acylglycerols and Tocopherols at Low Pressures by the Differential Scanning Calorimetry Technique
- Joback Method
- McGowan Method
- NIST Webbook
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