Chemical Properties of 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, B

4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, B

InChI
InChI=1S/C6H10OS/c1-4-3-6(7)5(2)8-4/h4-5H,3H2,1-2H3
InChI Key
NCZOZNJILSPDMQ-UHFFFAOYSA-N
Formula
C6H10OS
SMILES
CC1CC(=O)C(C)S1
Molecular Weight1
130.21
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Physical Properties

Property Value Unit Source
ΔfusH° 9.47 kJ/mol Joback Calculated Property
IE 8.62 eV Relay (1.0) Calculated Property
logPoct/wat 1.469 Crippen Calculated Property
McVol 102.460 ml/mol McGowan Calculated Property
Inp [1027.00; 1027.00]   Show Hide
Inp 1027.00 NIST
Inp 1027.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 [132.71; 344.29] 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 A1.14000e+00
Coefficient B5.25150e-01
Coefficient C-1.49300e-04
Coefficient D-3.27000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 132.71 J/mol×K 273.00 Calculated Property
Cp,gas 166.79 J/mol×K 353.78 Calculated Property
Cp,gas 198.47 J/mol×K 434.56 Calculated Property
Cp,gas 227.64 J/mol×K 515.33 Calculated Property
Cp,gas 254.21 J/mol×K 596.11 Calculated Property
Cp,gas 278.06 J/mol×K 676.89 Calculated Property
Cp,gas 299.10 J/mol×K 757.67 Calculated Property
Cp,gas 317.22 J/mol×K 838.44 Calculated Property
Cp,gas 332.32 J/mol×K 919.22 Calculated Property
Cp,gas 344.29 J/mol×K 1000.00 Calculated Property

Similar Compounds

4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A. 2-ethyl-5-methyl-4,5-dihydrothiophen-3(2H)-one. 3(2H)-Thiophenone, 2-ethyldihydro-. 4,5-dihydro-5-methyl-3(2H)-thiophenone. Dihydro-5-ethyl-3(2H)-thiophenone. 2-METHYLTETRAHYDROTHIOPHEN-3-ONE. 2H-Thiopyran-3(4H)-one, dihydro-6-methyl-. 4,5-Dihydro-2,4-dimethyl-3(2H)-thiophenone. Thiophen-3(2H)-one, 4,5-dihydro-2,4-dimethyl, # 1 (E or Z). 4,5-dihydro-2,(4 or 5)-dimethyl-3(2H)- thiophenone. Thiophen3(2H)-one, 4,5-dihydro-2,4-dimethyl, #2 (E or Z). tetrahydro-2,5-dimethylthiophene. Thiophene, tetrahydro-2,5-dimethyl-, cis-. Thiophene, tetrahydro-2,5-dimethyl-, trans-. 6-methyltetrahydro-2H-thiopyran-2-one.

Find more compounds similar to 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, B.

Sources

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