Chemical Properties of 2-vinyl-4H-1,3-dithiin (CAS 80028-57-5)

InChI

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

InChI Key

XUKBDTUPIIADOP-UHFFFAOYSA-N

Formula

C6H8S2

SMILES

C=CC1SC=CCS1

Molecular Weight¹

144.26

CAS

80028-57-5

Other Names

• 4H-1,3-Dithiin, 2-ethenyl
• 2-vinyl-4H-1,3-dithin

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	221.61	kJ/mol	Joback Calculated Property
ΔfH°gas	160.88	kJ/mol	Joback Calculated Property
ΔfusH°	10.39	kJ/mol	Joback Calculated Property
ΔvapH°	40.62	kJ/mol	Joback Calculated Property
log10WS	-2.81		Crippen Calculated Property
logPoct/wat	2.492		Crippen Calculated Property
McVol	108.640	ml/mol	McGowan Calculated Property
Pc	4311.22	kPa	Joback Calculated Property
Inp	[1162.00; 1217.10]
Inp	1199.00		NIST
Inp	1217.10		NIST
Inp	1185.00		NIST
Inp	1162.00		NIST
Inp	1170.00		NIST
Inp	1195.00		NIST
Inp	1206.00		NIST
Inp	1170.00		NIST
I	[1824.00; 1872.00]
I	1871.00		NIST
I	1842.00		NIST
I	1842.00		NIST
I	1872.00		NIST
I	1872.00		NIST
I	1872.00		NIST
I	1824.00		NIST
I	1833.00		NIST
I	1871.00		NIST
I	1872.00		NIST
Tboil	447.73	K	Joback Calculated Property
Tc	695.41	K	Joback Calculated Property
Tfus	330.66	K	Joback Calculated Property
Vc	0.363	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.06; 259.53]	J/mol×K	[447.73; 695.41]
Cp,gas	194.06	J/mol×K	447.73	Joback Calculated Property
Cp,gas	207.13	J/mol×K	489.01	Joback Calculated Property
Cp,gas	219.27	J/mol×K	530.29	Joback Calculated Property
Cp,gas	230.54	J/mol×K	571.57	Joback Calculated Property
Cp,gas	240.97	J/mol×K	612.85	Joback Calculated Property
Cp,gas	250.62	J/mol×K	654.13	Joback Calculated Property
Cp,gas	259.53	J/mol×K	695.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-vinyl-4H-1,3-dithiin.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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