- InChI
- InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3
- InChI Key
- FYPMFJGVHOHGLL-UHFFFAOYSA-N
- Formula
- C31H48O2S2
- SMILES
-
CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C
)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c( C(C)(C)C)c1 - Molecular Weight1
- 516.86
- Other Names
-
- 4,4'-(propane-2,2-diylbis(sulfanediyl))bis(2,6-di-tert-butylphenol)
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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° | 167.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.99 | kJ/mol | The slo... |
| ΔvapH° | 124.98 | kJ/mol | Joback Calculated Property |
| log10WS | -9.98 | Crippen Calculated Property | |
| logPoct/wat | 9.908 | Crippen Calculated Property | |
| McVol | 444.570 | ml/mol | McGowan Calculated Property |
| Pc | 998.28 | kPa | Joback Calculated Property |
| Tboil | 1264.61 | K | Joback Calculated Property |
| Tc | 1550.25 | K | Joback Calculated Property |
| Tfus | 399.05 | K | The slo... |
| Ttriple | 298.15 | K | The slo... |
| Vc | 1.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1648.21; 1930.89] | J/mol×K | [1264.61; 1550.25] | 
|
|
T(K) Ideal gas heat capacity (J/mol×K) 1650 1700 1750 1800 1850 1900 1950 1300 1400 1500 | ||||
| Cp,gas | 1648.21 | J/mol×K | 1264.61 | Joback Calculated Property |
| Cp,gas | 1685.33 | J/mol×K | 1312.22 | Joback Calculated Property |
| Cp,gas | 1725.69 | J/mol×K | 1359.82 | Joback Calculated Property |
| Cp,gas | 1769.85 | J/mol×K | 1407.43 | Joback Calculated Property |
| Cp,gas | 1818.39 | J/mol×K | 1455.04 | Joback Calculated Property |
| Cp,gas | 1871.88 | J/mol×K | 1502.65 | Joback Calculated Property |
| Cp,gas | 1930.89 | J/mol×K | 1550.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to probucol.
Sources
- Crippen Method
- Crippen Method
- The slow molecular dynamics in amorphous probucol
- Joback Method
- McGowan Method
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