- InChI
- InChI=1S/C10H10O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h4-7H,1-2H3
- InChI Key
- VOSCFWYOCZJNQB-UHFFFAOYSA-N
- Formula
- C10H10O2S
- SMILES
- CC#CS(=O)(=O)c1ccc(C)cc1
- Molecular Weight1
- 194.25
- CAS
- 14027-53-3
- 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 | 0.4500 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5873.30 ± 3.20 | kJ/mol | NIST |
| ΔfG° | -129.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 10.40 ± 4.20 | kJ/mol | NIST |
| ΔfH°solid | -93.00 ± 3.30 | kJ/mol | NIST |
| ΔfusH° | 29.81 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 103.00 ± 3.00 | kJ/mol | NIST |
| ΔvapH° | 82.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.750 | Crippen Calculated Property | |
| McVol | 147.490 | ml/mol | McGowan Calculated Property |
| Pc | 4178.49 | kPa | Joback Calculated Property |
| Tboil | 561.80 | K | Relay (1.0) Calculated Property |
| Tc | 787.89 | K | Relay (1.0) Calculated Property |
| Tfus | 365.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.500 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.39; 374.10] | J/mol×K | [516.64; 742.91] | 
|
| Cp,gas | 302.39 | J/mol×K | 516.64 | Joback Calculated Property |
| Cp,gas | 316.36 | J/mol×K | 554.35 | Joback Calculated Property |
| Cp,gas | 329.50 | J/mol×K | 592.06 | Joback Calculated Property |
| Cp,gas | 341.84 | J/mol×K | 629.78 | Joback Calculated Property |
| Cp,gas | 353.39 | J/mol×K | 667.49 | Joback Calculated Property |
| Cp,gas | 364.14 | J/mol×K | 705.20 | Joback Calculated Property |
| Cp,gas | 374.10 | J/mol×K | 742.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-4-(1-propynyl-sulphonyl)benzene.
Sources
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