- InChI
- InChI=1S/C5H10O2S/c1-5-2-3-8(6,7)4-5/h5H,2-4H2,1H3
- InChI Key
- CMJLMPKFQPJDKP-UHFFFAOYSA-N
- Formula
- C5H10O2S
- SMILES
- CC1CCS(=O)(=O)C1
- Molecular Weight1
- 134.20
- CAS
- 872-93-5
- Other Names
-
- 3-METHYL SULFOLANE
- 3-Methylsulfolane
- 3-Methyltetrahydrothiophene 1,1-dioxide
- 3-Methylthiacyclopentane 1,1-dioxide
- 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).
- ΔfusH° : Enthalpy of fusion 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | -434.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -536.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.61 | kJ/mol | Joback Calculated Property |
| log10WS | -0.40 | Crippen Calculated Property | |
| logPoct/wat | 0.441 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 5205.63 | kPa | Joback Calculated Property |
| Tboil | 550.00 ± 3.00 | K | NIST |
| Tc | 539.07 | K | Joback Calculated Property |
| Tfus | 305.00 ± 0.80 | K | NIST |
| Vc | 0.374 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.71; 233.69] | J/mol×K | [355.91; 539.07] | 
|
| Cp,gas | 165.71 | J/mol×K | 355.91 | Joback Calculated Property |
| Cp,gas | 178.40 | J/mol×K | 386.44 | Joback Calculated Property |
| Cp,gas | 190.52 | J/mol×K | 416.96 | Joback Calculated Property |
| Cp,gas | 202.11 | J/mol×K | 447.49 | Joback Calculated Property |
| Cp,gas | 213.15 | J/mol×K | 478.02 | Joback Calculated Property |
| Cp,gas | 223.68 | J/mol×K | 508.54 | Joback Calculated Property |
| Cp,gas | 233.69 | J/mol×K | 539.07 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [7.97e-05; 4151.03] | kPa | [273.65; 817.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.83891e+01 | |||
| Coefficient B | -1.06964e+04 | |||
| Coefficient C | -8.71418e+00 | |||
| Coefficient D | 2.19994e-06 | |||
| Temperature range, min. | 273.65 | |||
| Temperature range, max. | 817.00 | |||
| Pvap | 7.97e-05 | kPa | 273.65 | Calculated Property |
| Pvap | 0.02 | kPa | 334.02 | Calculated Property |
| Pvap | 0.62 | kPa | 394.39 | Calculated Property |
| Pvap | 7.35 | kPa | 454.77 | Calculated Property |
| Pvap | 44.42 | kPa | 515.14 | Calculated Property |
| Pvap | 172.60 | kPa | 575.51 | Calculated Property |
| Pvap | 496.29 | kPa | 635.88 | Calculated Property |
| Pvap | 1155.48 | kPa | 696.26 | Calculated Property |
| Pvap | 2313.29 | kPa | 756.63 | Calculated Property |
| Pvap | 4151.03 | kPa | 817.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, tetrahydro-3-methyl-, 1,1-dioxide.
Sources
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