- InChI
- InChI=1S/C24H28Cl2O2S/c25-17-11-19(15-7-3-1-4-8-15)23(27)21(13-17)29-22-14-18(26)12-20(24(22)28)16-9-5-2-6-10-16/h11-16,27-28H,1-10H2
- InChI Key
- AEOOLMQCAIHHCZ-UHFFFAOYSA-N
- Formula
- C24H28Cl2O2S
- SMILES
-
Oc1c(Sc2cc(Cl)cc(C3CCCCC3)c2O)
cc(Cl)cc1C1CCCCC1 - Molecular Weight1
- 451.45
- CAS
- 116277-94-2
- 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).
- 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 | 0.8668 | Relay (1.0) Calculated Property | |
| ΔfG° | 86.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 164.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.651 | Crippen Calculated Property | |
| McVol | 332.350 | ml/mol | McGowan Calculated Property |
| Pc | 1942.37 | kPa | Joback Calculated Property |
| Tboil | 738.98 | K | Relay (1.0) Calculated Property |
| Tc | 1077.74 | K | Relay (1.0) Calculated Property |
| Tfus | 445.23 | K | Relay (1.0) Calculated Property |
| Vc | 1.147 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1136.77; 1269.34] | J/mol×K | [1165.78; 1457.40] | 
|
| Cp,gas | 1136.77 | J/mol×K | 1165.78 | Joback Calculated Property |
| Cp,gas | 1156.82 | J/mol×K | 1214.38 | Joback Calculated Property |
| Cp,gas | 1177.22 | J/mol×K | 1262.99 | Joback Calculated Property |
| Cp,gas | 1198.33 | J/mol×K | 1311.59 | Joback Calculated Property |
| Cp,gas | 1220.49 | J/mol×K | 1360.19 | Joback Calculated Property |
| Cp,gas | 1244.04 | J/mol×K | 1408.79 | Joback Calculated Property |
| Cp,gas | 1269.34 | J/mol×K | 1457.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2'-Thiobis(4-chloro-6-cyclohexylphenol).
Sources
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