![Benzo[b]thiophene 1,1-dioxide, 3-methyl-](/cid/60-387-6/Benzo-b-thiophene-1-1-dioxide-3-methyl.png "Benzo[b]thiophene 1,1-dioxide, 3-methyl-")
- InChI
- InChI=1S/C9H8O2S/c1-7-6-12(10,11)9-5-3-2-4-8(7)9/h2-6H,1H3
- InChI Key
- DCAZNDCIMXHKOS-UHFFFAOYSA-N
- Formula
- C9H8O2S
- SMILES
- CC1=CS(=O)(=O)c2ccccc21
- Molecular Weight1
- 180.22
- CAS
- 6406-91-3
- Other Names
-
- 3-Methyl-1-thiaindene 1,1-dioxide
- 3-Methyl-benzo(b)thiophene-1,1-dioxide
- 3-Methylbenzo[b]thiophene dioxide
- 3-Methylbenzothiophene 1,1-dioxide
- Benzo[b]thiophene, 3-methyl-, 1,1-dioxide
- 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 | -5196.00 ± 83.00 | kJ/mol | NIST |
| ΔfG° | -245.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.54 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | 214.00 | kJ/mol | NIST |
| ΔfusH° | 21.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.37 | kJ/mol | Joback Calculated Property |
| IE | 9.20 | eV | NIST |
| log10WS | -2.67 | Aq. Sol... | |
| logPoct/wat | 1.835 | Crippen Calculated Property | |
| McVol | 126.840 | ml/mol | McGowan Calculated Property |
| Pc | 4756.24 | kPa | Joback Calculated Property |
| Tboil | 479.36 | K | Joback Calculated Property |
| Tc | 693.23 | K | Joback Calculated Property |
| Tfus | 353.20 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.35; 317.23] | J/mol×K | [479.36; 693.23] | 
|
| Cp,gas | 254.35 | J/mol×K | 479.36 | Joback Calculated Property |
| Cp,gas | 266.87 | J/mol×K | 515.00 | Joback Calculated Property |
| Cp,gas | 278.51 | J/mol×K | 550.65 | Joback Calculated Property |
| Cp,gas | 289.32 | J/mol×K | 586.29 | Joback Calculated Property |
| Cp,gas | 299.35 | J/mol×K | 621.94 | Joback Calculated Property |
| Cp,gas | 308.63 | J/mol×K | 657.58 | Joback Calculated Property |
| Cp,gas | 317.23 | J/mol×K | 693.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzo[b]thiophene 1,1-dioxide, 3-methyl-.
Sources
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