- InChI
- InChI=1S/C8H8O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H2
- InChI Key
- UJTPZISIAWDGFF-UHFFFAOYSA-N
- Formula
- C8H8O2S
- SMILES
- C=CS(=O)(=O)c1ccccc1
- Molecular Weight1
- 168.21
- CAS
- 5535-48-8
- Other Names
-
- Sulfone, phenyl vinyl
- Phenyl vinyl sulfone
- URI 744
- phenyl vinyl sulphone
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔcH°solid | -4682.60 ± 1.60 | kJ/mol | NIST |
| ΔfG° | -251.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -129.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | -210.80 ± 1.70 | kJ/mol | NIST |
| ΔfusH° | 20.62 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 82.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 53.64 | kJ/mol | Joback Calculated Property |
| log10WS | -1.93 | Crippen Calculated Property | |
| logPoct/wat | 1.604 | Crippen Calculated Property | |
| McVol | 123.610 | ml/mol | McGowan Calculated Property |
| Pc | 4704.19 | kPa | Joback Calculated Property |
| Tboil | 453.58 | K | Joback Calculated Property |
| Tc | 661.77 | K | Joback Calculated Property |
| Tfus | 243.14 | K | Joback Calculated Property |
| Vc | 0.482 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.45; 297.53] | J/mol×K | [453.58; 661.77] | 
|
| Cp,gas | 232.45 | J/mol×K | 453.58 | Joback Calculated Property |
| Cp,gas | 245.09 | J/mol×K | 488.28 | Joback Calculated Property |
| Cp,gas | 256.99 | J/mol×K | 522.98 | Joback Calculated Property |
| Cp,gas | 268.17 | J/mol×K | 557.68 | Joback Calculated Property |
| Cp,gas | 278.64 | J/mol×K | 592.38 | Joback Calculated Property |
| Cp,gas | 288.42 | J/mol×K | 627.08 | Joback Calculated Property |
| Cp,gas | 297.53 | J/mol×K | 661.77 | Joback Calculated Property |
| ΔfusH | [11.72; 11.72] | kJ/mol | [343.40; 343.40] |
|
| ΔfusH | 11.72 | kJ/mol | 343.40 | NIST |
| ΔfusH | 11.72 | kJ/mol | 343.40 | NIST |
Similar Compounds
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Sources
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