- InChI
- InChI=1S/C10H12O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h3-8H,1-2H3/b8-3+
- InChI Key
- BWSQJQVNZGJZDB-FPYGCLRLSA-N
- Formula
- C10H12O2S
- SMILES
- CC=CS(=O)(=O)c1ccc(C)cc1
- Molecular Weight1
- 196.27
- CAS
- 32228-15-2
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.4878 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5959.70 ± 1.50 | kJ/mol | NIST |
| ΔfG° | -252.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | -292.30 ± 1.70 | kJ/mol | NIST |
| ΔfusH° | 26.89 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 84.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 86.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.302 | Crippen Calculated Property | |
| McVol | 151.790 | ml/mol | McGowan Calculated Property |
| Pc | 3650.93 | kPa | Joback Calculated Property |
| Tboil | 588.13 | K | Relay (1.0) Calculated Property |
| Tc | 784.47 | K | Relay (1.0) Calculated Property |
| Tfus | 347.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.517 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.79; 393.19] | J/mol×K | [511.80; 720.70] | 
|
| Cp,gas | 318.79 | J/mol×K | 511.80 | Joback Calculated Property |
| Cp,gas | 333.24 | J/mol×K | 546.62 | Joback Calculated Property |
| Cp,gas | 346.84 | J/mol×K | 581.43 | Joback Calculated Property |
| Cp,gas | 359.61 | J/mol×K | 616.25 | Joback Calculated Property |
| Cp,gas | 371.57 | J/mol×K | 651.07 | Joback Calculated Property |
| Cp,gas | 382.76 | J/mol×K | 685.89 | Joback Calculated Property |
| Cp,gas | 393.19 | J/mol×K | 720.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-Methyl-4-(1-propenyl-sulphonyl)-benzene.
Sources
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