Chemical Properties of 2-Vinyl-1,3-dithiane (CAS 61685-40-3)

InChI

InChI=1S/C6H10S2/c1-2-6-7-4-3-5-8-6/h2,6H,1,3-5H2

InChI Key

SIZZLUKBSIWVMD-UHFFFAOYSA-N

Formula

C6H10S2

SMILES

C=CC1SCCCS1

Molecular Weight¹

146.27

CAS

61685-40-3

Other Names

• 1,3-Dithiane, 2-ethenyl

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.1709		Relay (1.0) Calculated Property
ΔfG°	191.65	kJ/mol	Joback Calculated Property
ΔfH°gas	33.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.16	kJ/mol	Joback Calculated Property
ΔvapH°	58.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-1.93		Relay (1.0) Calculated Property
logPoct/wat	2.369		Crippen Calculated Property
McVol	112.940	ml/mol	McGowan Calculated Property
Pc	4114.41	kPa	Joback Calculated Property
Inp	[1183.00; 1236.00]
Inp	1208.00		NIST
Inp	1236.00		NIST
Inp	1183.00		NIST
Inp	1208.00		NIST
Inp	1183.00		NIST
Inp	1236.00		NIST
I	[1679.00; 1745.00]
I	1679.00		NIST
I	1745.00		NIST
I	1679.00		NIST
I	1745.00		NIST
I	1723.00		NIST
Tboil	488.74	K	Relay (1.0) Calculated Property
Tc	701.74	K	Relay (1.0) Calculated Property
Tfus	254.45	K	Relay (1.0) Calculated Property
Vc	0.362	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.74; 282.67]	J/mol×K	[448.57; 693.51]
Cp,gas	208.74	J/mol×K	448.57	Joback Calculated Property
Cp,gas	223.33	J/mol×K	489.39	Joback Calculated Property
Cp,gas	236.96	J/mol×K	530.22	Joback Calculated Property
Cp,gas	249.67	J/mol×K	571.04	Joback Calculated Property
Cp,gas	261.49	J/mol×K	611.86	Joback Calculated Property
Cp,gas	272.48	J/mol×K	652.68	Joback Calculated Property
Cp,gas	282.67	J/mol×K	693.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Vinyl-1,3-dithiane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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