Chemical Properties of 3-ethyl-1,2-dithiolan-4-one

3-ethyl-1,2-dithiolan-4-one

InChI
InChI=1S/C5H8OS2/c1-2-5-4(6)3-7-8-5/h5H,2-3H2,1H3
InChI Key
TUMVOBRANVUYMK-UHFFFAOYSA-N
Formula
C5H8OS2
SMILES
CCC1SSCC1=O
Molecular Weight1
148.25
Other Names
  • 1,2-Dithiolan-4-one, 3-ethyl
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
ΔfusH° 9.46 kJ/mol Joback Calculated Property
logPoct/wat 1.729 Crippen Calculated Property
McVol 104.720 ml/mol McGowan Calculated Property
Inp [1163.00; 1169.00]   Show Hide
Inp 1169.00 NIST
Inp 1167.00 NIST
Inp 1163.00 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, Ionization energy, 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 [133.77; 312.37] 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 A1.79310e+01
Coefficient B4.71040e-01
Coefficient C-1.69000e-04
Coefficient D-7.60000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 133.77 J/mol×K 273.00 Calculated Property
Cp,gas 163.09 J/mol×K 353.78 Calculated Property
Cp,gas 190.09 J/mol×K 434.56 Calculated Property
Cp,gas 214.75 J/mol×K 515.33 Calculated Property
Cp,gas 237.06 J/mol×K 596.11 Calculated Property
Cp,gas 256.98 J/mol×K 676.89 Calculated Property
Cp,gas 274.50 J/mol×K 757.67 Calculated Property
Cp,gas 289.59 J/mol×K 838.44 Calculated Property
Cp,gas 302.22 J/mol×K 919.22 Calculated Property
Cp,gas 312.37 J/mol×K 1000.00 Calculated Property

Similar Compounds

cis-3-ethyl-5-methyl-1,2-dithiolan-4-one. 1,2-Dithiolan-4-one, 3-ethyl-5-methyl, #2 (E or Z). 1,2-Dithiolan-4-one, 3-ethyl-5-methyl, #1 (E or Z). trans-3-ethyl-5-methyl-1,2-dithiolan-4-one. 2-oxopropyl 2-oxo-3-pentyl disulfide. 3-acetyl-1,2-dithiolane. bis(2-oxo-3-pentyl) disulfide. 3-(1-Methyl-2-oxobutyldithio)pentan-2-one, #1. 3-(1-Methyl-2-oxobutyldithio)pentan-2-one, #2. 3-[(1-methyl-2-oxobutyl)-dithio]-2-pentanone. 3-[(1-methyl-2-oxopropyl)-dithio]-2-pentanone. 6-methyl-1,2-dithian-4-one. trans-3,6-dimethyl-1,2-dithian-4-one. 3,6-Dimethyl-1,2-dithian-4-one. cis-3,6-dimethyl-1,2-dithian-4-one.

Find more compounds similar to 3-ethyl-1,2-dithiolan-4-one.

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.
These property values are available through the Cheméo API. A free account gives you an access key.