- InChI
- InChI=1S/C9H8O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h3-7H,1H3
- InChI Key
- LYYXDHMLCDVGGI-UHFFFAOYSA-N
- Formula
- C9H8O2S
- SMILES
- CC#CS(=O)(=O)c1ccccc1
- Molecular Weight1
- 180.22
- CAS
- 2525-41-9
- 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).
- 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 | -5235.10 ± 4.10 | kJ/mol | NIST |
| ΔfG° | -128.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 43.50 ± 5.00 | kJ/mol | NIST |
| ΔfH°solid | -51.90 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 27.61 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 95.00 ± 3.00 | kJ/mol | NIST |
| ΔvapH° | 58.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 1.441 | Crippen Calculated Property | |
| McVol | 133.400 | ml/mol | McGowan Calculated Property |
| Pc | 4849.43 | kPa | Joback Calculated Property |
| Tboil | 488.78 | K | Joback Calculated Property |
| Tc | 717.80 | K | Joback Calculated Property |
| Tfus | 362.27 | K | Joback Calculated Property |
| Vc | 0.519 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.30; 326.96] | J/mol×K | [488.78; 717.80] | 
|
| Cp,gas | 259.30 | J/mol×K | 488.78 | Joback Calculated Property |
| Cp,gas | 272.58 | J/mol×K | 526.95 | Joback Calculated Property |
| Cp,gas | 285.04 | J/mol×K | 565.12 | Joback Calculated Property |
| Cp,gas | 296.70 | J/mol×K | 603.29 | Joback Calculated Property |
| Cp,gas | 307.56 | J/mol×K | 641.46 | Joback Calculated Property |
| Cp,gas | 317.65 | J/mol×K | 679.63 | Joback Calculated Property |
| Cp,gas | 326.96 | J/mol×K | 717.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenyl prop-1-ynyl sulphone.
Sources
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