Chemical Properties of 3-METHYL-2,5-DIHYDRO-THIOPHENE-1,1-DIOXIDE

3-METHYL-2,5-DIHYDRO-THIOPHENE-1,1-DIOXIDE

InChI
InChI=1S/C5H8O2S/c1-5-2-3-8(6,7)4-5/h2H,3-4H2,1H3
InChI Key
FAYFWMOSHFCQPG-UHFFFAOYSA-N
Formula
C5H8O2S
SMILES
CC1=CCS(=O)(=O)C1
Molecular Weight1
132.18
Other Names
  • 1,3-Butadiene, 2-methyl-, sulfone
  • 2,5-Dihydro-3-methyl-thiophene 1,1-dioxide
  • 2,5-Dihydrothiophene, 1,1-dioxide, 3-methyl-
  • 3-Methyl-2,5-dihydrothiophene 1,1-dioxide
  • 3-Methyl-2,5-dihydrothiophene dioxide
  • 3-Methyl-3-sulfolene
  • 3-Methylsulfolene
  • NSC 15090
  • Thiophene, 2,5-dihydro-3-methyl-, 1,1-dioxide
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔcH°solid -3357.40 ± 2.10 kJ/mol NIST
ΔfH°gas -291.60 ± 2.20 kJ/mol NIST
ΔfH°solid -355.60 ± 2.20 kJ/mol NIST
ΔfusH° 13.31 kJ/mol Joback Calculated Property
ΔsubH° 64.00 kJ/mol NIST
IE 9.84 eV NIST
logPoct/wat 0.361 Crippen Calculated Property
McVol 94.240 ml/mol McGowan Calculated Property
Tfus 336.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [122.19; 288.55] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.05400e+01
Coefficient B5.75130e-01
Coefficient C-3.44540e-04
Coefficient D6.85000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 122.19 J/mol×K 273.00 Calculated Property
Cp,gas 152.84 J/mol×K 353.78 Calculated Property
Cp,gas 179.94 J/mol×K 434.56 Calculated Property
Cp,gas 203.72 J/mol×K 515.33 Calculated Property
Cp,gas 224.38 J/mol×K 596.11 Calculated Property
Cp,gas 242.14 J/mol×K 676.89 Calculated Property
Cp,gas 257.22 J/mol×K 757.67 Calculated Property
Cp,gas 269.84 J/mol×K 838.44 Calculated Property
Cp,gas 280.21 J/mol×K 919.22 Calculated Property
Cp,gas 288.55 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,5-Dihydrothiophene 1,1-dioxide. 2,4-Diethyl-2,5-dihydro-thiophene, stereoisomer 2. Butyl furfuryl sulfide. Furfuryl propyl sulfide. Furfuryl pentyl sulfide. Isobutyl furfuryl sulfide. 2,4-Dibutyl-2,5-dihydro-thiophene. Furfuryl 2-propenyl sulfide. Ethyl furfuryl sulfide. 3-Indoleglyoxylic acid, ethoxycarbonilated, TBDMS. Thiosulfuric acid (H2S2O3), S-[2-[(tetrahydro-1,1-dioxido-3-thienyl)amino]ethyl] ester. 5-Methoxytryptamine, iso-BOC. Cytidine, acetyl methyl derivative. GA75, MeTMSi. GA86, MeTMSi.

Find more compounds similar to 3-METHYL-2,5-DIHYDRO-THIOPHENE-1,1-DIOXIDE.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.