- InChI
- InChI=1S/C8H8S/c1-2-9-8-6-4-3-5-7-8/h2-7H,1H2
- InChI Key
- GMPDOIGGGXSAPL-UHFFFAOYSA-N
- Formula
- C8H8S
- SMILES
- C=CSc1ccccc1
- Molecular Weight1
- 136.21
- CAS
- 1822-73-7
- Other Names
-
- Phenylthioethene
- Phenylthioethylene
- Phenyl vinyl sulfide
- Phenyl vinyl thioether
- Sulfide, phenyl vinyl
- Vinyl phenyl sulfide
- Vinylthiobenzene
- (Vinylsulfanyl)benzene
- (Ethenylthio)benzene
- Phenyl vinyl sulphide
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | 249.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 195.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.83 | kJ/mol | Joback Calculated Property |
| IE | 7.96 ± 0.01 | eV | NIST |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.922 | Crippen Calculated Property | |
| McVol | 111.870 | ml/mol | McGowan Calculated Property |
| Pc | 3925.85 | kPa | Joback Calculated Property |
| Inp | [1141.00; 1141.00] |
|
|
| Inp | 1141.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Tboil | 474.58 | K | Joback Calculated Property |
| Tc | 714.89 | K | Joback Calculated Property |
| Tfus | 238.98 | K | Joback Calculated Property |
| Vc | 0.410 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.03; 268.56] | J/mol×K | [474.58; 714.89] |
|
| Cp,gas | 206.03 | J/mol×K | 474.58 | Joback Calculated Property |
| Cp,gas | 218.51 | J/mol×K | 514.63 | Joback Calculated Property |
| Cp,gas | 230.11 | J/mol×K | 554.68 | Joback Calculated Property |
| Cp,gas | 240.88 | J/mol×K | 594.74 | Joback Calculated Property |
| Cp,gas | 250.85 | J/mol×K | 634.79 | Joback Calculated Property |
| Cp,gas | 260.07 | J/mol×K | 674.84 | Joback Calculated Property |
| Cp,gas | 268.56 | J/mol×K | 714.89 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 367.70 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to Benzene, (ethenylthio)-.
Sources
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