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

InChI

InChI=1S/C7H14S2/c1-2-3-4-7-8-5-6-9-7/h7H,2-6H2,1H3

InChI Key

ONMLWOHLHPFOPY-UHFFFAOYSA-N

Formula

C7H14S2

SMILES

CCCCC1SCCS1

Molecular Weight¹

162.32

• 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°	124.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-36.81	kJ/mol	Joback Calculated Property
ΔfusH°	15.13	kJ/mol	Joback Calculated Property
ΔvapH°	43.06	kJ/mol	Joback Calculated Property
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	2.983		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Pc	3372.36	kPa	Joback Calculated Property
Inp	[1282.00; 1344.00]
Inp	1288.00		NIST
Inp	1298.00		NIST
Inp	1323.00		NIST
Inp	1344.00		NIST
Inp	1288.00		NIST
Inp	1282.00		NIST
Inp	1336.00		NIST
Inp	1288.00		NIST
Inp	1282.00		NIST
Tboil	470.50	K	Joback Calculated Property
Tc	696.36	K	Joback Calculated Property
Tfus	346.45	K	Joback Calculated Property
Vc	0.461	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[267.83; 347.80]	J/mol×K	[470.50; 696.36]
Cp,gas	267.83	J/mol×K	470.50	Joback Calculated Property
Cp,gas	283.32	J/mol×K	508.14	Joback Calculated Property
Cp,gas	297.90	J/mol×K	545.79	Joback Calculated Property
Cp,gas	311.59	J/mol×K	583.43	Joback Calculated Property
Cp,gas	324.44	J/mol×K	621.07	Joback Calculated Property
Cp,gas	336.50	J/mol×K	658.72	Joback Calculated Property
Cp,gas	347.80	J/mol×K	696.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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