- InChI
- InChI=1S/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2
- InChI Key
- AFOSIXZFDONLBT-UHFFFAOYSA-N
- Formula
- C4H6O2S
- SMILES
- C=CS(=O)(=O)C=C
- Molecular Weight1
- 118.15
- CAS
- 77-77-0
- Other Names
-
- 1,1'-Sulphonylbisethene
- (CH2=CH)2SO2
- Divinyl sulfone
- Vinyl sulfone
- Ethene, 1,1'-sulfonylbis-
- Bis(ethenyl)sulfone
- Sulfone, divinyl-
- TL 797
- ΔcH°liquid : Standard liquid 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°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -2826.50 ± 3.50 | kJ/mol | NIST |
| ΔfG° | -310.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-156.60; -151.00] | kJ/mol |
|
| ΔfH°gas | -156.60 ± 5.00 | kJ/mol | NIST |
| ΔfH°gas | -151.00 ± 4.00 | kJ/mol | NIST |
| ΔfH°liquid | [-213.00; -207.10] | kJ/mol |
|
| ΔfH°liquid | -213.00 ± 4.50 | kJ/mol | NIST |
| ΔfH°liquid | -207.10 ± 3.80 | kJ/mol | NIST |
| ΔfusH° | 14.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [56.40; 56.50] | kJ/mol |
|
| ΔvapH° | 56.40 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 56.40 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 56.50 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 56.50 ± 0.80 | kJ/mol | NIST |
| IE | [10.56; 10.62] | eV |
|
| IE | 10.56 | eV | NIST |
| IE | 10.62 | eV | NIST |
| log10WS | -1.03 | Crippen Calculated Property | |
| logPoct/wat | 0.688 | Crippen Calculated Property | |
| McVol | 86.710 | ml/mol | McGowan Calculated Property |
| Pc | 5382.80 | kPa | Joback Calculated Property |
| Tboil | 332.06 | K | Joback Calculated Property |
| Tc | 501.69 | K | Joback Calculated Property |
| Tfus | 169.88 | K | Joback Calculated Property |
| Vc | 0.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.93; 173.06] | J/mol×K | [332.06; 501.69] |
|
| Cp,gas | 132.93 | J/mol×K | 332.06 | Joback Calculated Property |
| Cp,gas | 140.28 | J/mol×K | 360.33 | Joback Calculated Property |
| Cp,gas | 147.36 | J/mol×K | 388.60 | Joback Calculated Property |
| Cp,gas | 154.18 | J/mol×K | 416.87 | Joback Calculated Property |
| Cp,gas | 160.73 | J/mol×K | 445.15 | Joback Calculated Property |
| Cp,gas | 167.02 | J/mol×K | 473.42 | Joback Calculated Property |
| Cp,gas | 173.06 | J/mol×K | 501.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Divinyl sulphone.
Sources
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