- InChI
- InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H/p-1
- InChI Key
- RMVRSNDYEFQCLF-UHFFFAOYSA-M
- Formula
- C6H5S-
- SMILES
- [S-]c1ccccc1
- Molecular Weight1
- 109.17
- CAS
- 13133-62-5
- 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 | 0.2328 | Relay (1.0) Calculated Property | |
| ΔfG° | 197.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 135.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.592 | Crippen Calculated Property | |
| McVol | 85.840 | ml/mol | McGowan Calculated Property |
| Pc | 5087.49 | kPa | Joback Calculated Property |
| Tboil | 453.49 | K | Relay (1.0) Calculated Property |
| Tc | 655.03 | K | Relay (1.0) Calculated Property |
| Tfus | 271.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.283 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.43; 184.80] | J/mol×K | [431.44; 669.59] | 
|
| Cp,gas | 138.43 | J/mol×K | 431.44 | Joback Calculated Property |
| Cp,gas | 148.04 | J/mol×K | 471.13 | Joback Calculated Property |
| Cp,gas | 156.82 | J/mol×K | 510.82 | Joback Calculated Property |
| Cp,gas | 164.82 | J/mol×K | 550.52 | Joback Calculated Property |
| Cp,gas | 172.11 | J/mol×K | 590.21 | Joback Calculated Property |
| Cp,gas | 178.75 | J/mol×K | 629.90 | Joback Calculated Property |
| Cp,gas | 184.80 | J/mol×K | 669.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to thiophenoxide anion.
Sources
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