- InChI
- InChI=1S/C12H8OS2/c13-15-11-7-3-1-5-9(11)14-10-6-2-4-8-12(10)15/h1-8H
- InChI Key
- NYVGTLXTOJKHJN-UHFFFAOYSA-N
- Formula
- C12H8OS2
- SMILES
- O=S1c2ccccc2Sc2ccccc21
- Molecular Weight1
- 232.32
- CAS
- 2362-50-7
- Other Names
-
- Thianthrene monooxide
- Thianthrene oxide
- Thianthrene S-oxide
- 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 | 0.4052 | Relay (... Calculated Property | |
| ΔfG° | 165.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 127.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.66 | kJ/mol | Relay (... Calculated Property |
| IE | 7.97 | eV | Relay (... Calculated Property |
| log10WS | -5.35 | Relay (... Calculated Property | |
| logPoct/wat | 3.318 | Crippen Calculated Property | |
| McVol | 160.130 | ml/mol | McGowan Calculated Property |
| Pc | 4200.18 | kPa | Joback Calculated Property |
| Tboil | 681.09 | K | Relay (... Calculated Property |
| Tc | 949.34 | K | Relay (... Calculated Property |
| Tfus | 407.70 ± 1.00 | K | NIST |
| Vc | 0.561 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.27; 423.37] | J/mol×K | [629.58; 899.25] | 
|
| Cp,gas | 360.27 | J/mol×K | 629.58 | Joback Calculated Property |
| Cp,gas | 373.47 | J/mol×K | 674.53 | Joback Calculated Property |
| Cp,gas | 385.38 | J/mol×K | 719.47 | Joback Calculated Property |
| Cp,gas | 396.16 | J/mol×K | 764.42 | Joback Calculated Property |
| Cp,gas | 405.99 | J/mol×K | 809.36 | Joback Calculated Property |
| Cp,gas | 415.00 | J/mol×K | 854.31 | Joback Calculated Property |
| Cp,gas | 423.37 | J/mol×K | 899.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thianthrene, 5-oxide.
Sources
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