- InChI
- InChI=1S/C26H44O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h14-15,19-22,27H,6-13,16-18H2,1-5H3/t21-,22-,26-/m0/s1
- InChI Key
- DFUSDJMZWQVQSF-MCEYFSPLSA-N
- Formula
- C26H44O2
- SMILES
-
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc
2cc(O)ccc2O1 - Molecular Weight1
- 388.63
- 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° | 65.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -598.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.70 | kJ/mol | Joback Calculated Property |
| log10WS | -8.34 | Crippen Calculated Property | |
| logPoct/wat | 7.915 | Crippen Calculated Property | |
| McVol | 354.320 | ml/mol | McGowan Calculated Property |
| Pc | 1086.35 | kPa | Joback Calculated Property |
| Inp | 2867.00 | NIST | |
| Tboil | 943.44 | K | Joback Calculated Property |
| Tc | 1161.46 | K | Joback Calculated Property |
| Tfus | 553.33 | K | Joback Calculated Property |
| Vc | 1.300 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1233.16; 1385.87] | J/mol×K | [943.44; 1161.46] | 
|
| Cp,gas | 1233.16 | J/mol×K | 943.44 | Joback Calculated Property |
| Cp,gas | 1257.82 | J/mol×K | 979.78 | Joback Calculated Property |
| Cp,gas | 1282.48 | J/mol×K | 1016.11 | Joback Calculated Property |
| Cp,gas | 1307.40 | J/mol×K | 1052.45 | Joback Calculated Property |
| Cp,gas | 1332.78 | J/mol×K | 1088.78 | Joback Calculated Property |
| Cp,gas | 1358.86 | J/mol×K | 1125.12 | Joback Calculated Property |
| Cp,gas | 1385.87 | J/mol×K | 1161.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tocol.
Sources
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