![Benzene,[2-(methylthio)ethenyl]-(Z)-](/cid/60-686-4/Benzene-2-methylthio-ethenyl-Z.png "Benzene,[2-(methylthio)ethenyl]-(Z)-")
- InChI
- InChI=1S/C9H10S/c1-10-8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7-
- InChI Key
- BWRWWBWZSDMTFX-FPLPWBNLSA-N
- Formula
- C9H10S
- SMILES
- CSC=Cc1ccccc1
- Molecular Weight1
- 150.24
- CAS
- 35822-50-5
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 147.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.75; 8.75] | eV |
|
| IE | 8.75 | eV | NIST |
| IE | 7.75 | eV | NIST |
| logPoct/wat | 3.020 | Crippen Calculated Property | |
| McVol | 125.960 | ml/mol | McGowan Calculated Property |
| Tboil | 510.77 | K | Relay (1.0) Calculated Property |
| Tfus | 268.97 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.71; 316.85] | J/mol×K | [505.14; 747.38] |
|
| Cp,gas | 247.71 | J/mol×K | 505.14 | Joback Calculated Property |
| Cp,gas | 261.57 | J/mol×K | 545.51 | Joback Calculated Property |
| Cp,gas | 274.42 | J/mol×K | 585.89 | Joback Calculated Property |
| Cp,gas | 286.32 | J/mol×K | 626.26 | Joback Calculated Property |
| Cp,gas | 297.32 | J/mol×K | 666.63 | Joback Calculated Property |
| Cp,gas | 307.48 | J/mol×K | 707.01 | Joback Calculated Property |
| Cp,gas | 316.85 | J/mol×K | 747.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene,[2-(methylthio)ethenyl]-(Z)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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