Chemical Properties of 3-Vinyl-1,2-dithiacyclohex-4-ene (CAS 62488-52-2)

InChI

InChI=1S/C6H8S2/c1-2-6-4-3-5-7-8-6/h2-4,6H,1,5H2

InChI Key

UQXHSMWBRGWFBK-UHFFFAOYSA-N

Formula

C6H8S2

SMILES

C=CC1C=CCSS1

Molecular Weight¹

144.26

CAS

62488-52-2

Other Names

• 1,2-Dithi-4-ene, 3-ethenyl
• 3-Ethenyl-1,2-dithi-4-ene
• 3-Vinyl-1,2-dithi-4-ene
• 3-Vinyl-1,2-dithiocyclohex-4-ene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.39	kJ/mol	Joback Calculated Property
logPoct/wat	2.492		Crippen Calculated Property
McVol	108.640	ml/mol	McGowan Calculated Property
Inp	[1180.00; 1214.00]
Inp	1205.00		NIST
Inp	1190.90		NIST
Inp	1214.00		NIST
Inp	1180.00		NIST
Inp	1205.00		NIST
I	[1750.00; 1750.00]
I	1750.00		NIST
I	1750.00		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	[127.44; 306.80]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.97400e+01
Coefficient B			6.48720e-01
Coefficient C			-4.31180e-04
Coefficient D			1.09000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.44	J/mol×K	273.00	Calculated Property
Cp,gas	160.62	J/mol×K	353.78	Calculated Property
Cp,gas	189.69	J/mol×K	434.56	Calculated Property
Cp,gas	214.98	J/mol×K	515.33	Calculated Property
Cp,gas	236.84	J/mol×K	596.11	Calculated Property
Cp,gas	255.62	J/mol×K	676.89	Calculated Property
Cp,gas	271.66	J/mol×K	757.67	Calculated Property
Cp,gas	285.31	J/mol×K	838.44	Calculated Property
Cp,gas	296.91	J/mol×K	919.22	Calculated Property
Cp,gas	306.80	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Vinyl-1,2-dithiacyclohex-4-ene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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