- InChI
- InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)27(29)23(5)19-26(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m0/s1
- InChI Key
- KNOLXXFWGWYXEX-UXRPBPJUSA-N
- Formula
- C28H42O2
- SMILES
-
CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)
CCc2c(cc(C)c(O)c2C)O1 - Molecular Weight1
- 410.63
- 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).
- 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 | 0.8657 | Relay (1.0) Calculated Property | |
| ΔfG° | 285.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -481.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.292 | Crippen Calculated Property | |
| McVol | 369.600 | ml/mol | McGowan Calculated Property |
| Pc | 1034.57 | kPa | Joback Calculated Property |
| Inp | [3148.00; 3148.00] |
|
|
| Inp | 3148.00 | NIST | |
| Inp | 3148.00 | NIST | |
| Tboil | 680.95 | K | Relay (1.0) Calculated Property |
| Tc | 933.86 | K | Relay (1.0) Calculated Property |
| Tfus | 369.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.299 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1283.49; 1474.89] | J/mol×K | [1012.60; 1244.99] |
|
| Cp,gas | 1283.49 | J/mol×K | 1012.60 | Joback Calculated Property |
| Cp,gas | 1311.78 | J/mol×K | 1051.33 | Joback Calculated Property |
| Cp,gas | 1341.08 | J/mol×K | 1090.06 | Joback Calculated Property |
| Cp,gas | 1371.73 | J/mol×K | 1128.80 | Joback Calculated Property |
| Cp,gas | 1404.03 | J/mol×K | 1167.53 | Joback Calculated Property |
| Cp,gas | 1438.31 | J/mol×K | 1206.26 | Joback Calculated Property |
| Cp,gas | 1474.89 | J/mol×K | 1244.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tocotrienol, 5,7-dimethyl.
Sources
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