Chemical Properties of 2-Butylidene-1,3-dithiolane

InChI

InChI=1S/C7H12S2/c1-2-3-4-7-8-5-6-9-7/h4H,2-3,5-6H2,1H3

InChI Key

VLAHDRRAZZBLEP-UHFFFAOYSA-N

Formula

C7H12S2

SMILES

CCCC=C1SCCS1

Molecular Weight¹

160.30

• 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.
• 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°	177.50	kJ/mol	Joback Calculated Property
ΔfH°gas	59.56	kJ/mol	Joback Calculated Property
ΔfusH°	14.39	kJ/mol	Joback Calculated Property
ΔvapH°	44.15	kJ/mol	Joback Calculated Property
log10WS	-3.26		Crippen Calculated Property
logPoct/wat	3.108		Crippen Calculated Property
McVol	127.030	ml/mol	McGowan Calculated Property
Pc	3628.97	kPa	Joback Calculated Property
Inp	[1295.00; 1295.00]
Inp	1295.00		NIST
Inp	1295.00		NIST
Tboil	481.81	K	Joback Calculated Property
Tc	716.22	K	Joback Calculated Property
Tfus	361.05	K	Joback Calculated Property
Vc	0.445	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.88; 320.54]	J/mol×K	[481.81; 716.22]
Cp,gas	250.88	J/mol×K	481.81	Joback Calculated Property
Cp,gas	264.58	J/mol×K	520.88	Joback Calculated Property
Cp,gas	277.36	J/mol×K	559.95	Joback Calculated Property
Cp,gas	289.30	J/mol×K	599.02	Joback Calculated Property
Cp,gas	300.43	J/mol×K	638.08	Joback Calculated Property
Cp,gas	310.83	J/mol×K	677.15	Joback Calculated Property
Cp,gas	320.54	J/mol×K	716.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butylidene-1,3-dithiolane.

Sources

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

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