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

InChI

InChI=1S/C7H14S2/c1-6(2)5-7-8-3-4-9-7/h6-7H,3-5H2,1-2H3

InChI Key

BZZWMYQPYPQYLG-UHFFFAOYSA-N

Formula

C7H14S2

SMILES

CC(C)CC1SCCS1

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°	121.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-42.09	kJ/mol	Joback Calculated Property
ΔfusH°	11.61	kJ/mol	Joback Calculated Property
ΔvapH°	42.67	kJ/mol	Joback Calculated Property
log10WS	-2.78		Crippen Calculated Property
logPoct/wat	2.839		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Pc	3403.91	kPa	Joback Calculated Property
Inp	[1235.00; 1303.00]
Inp	1243.00		NIST
Inp	1256.00		NIST
Inp	1280.00		NIST
Inp	1303.00		NIST
Inp	1235.00		NIST
Inp	1289.00		NIST
Tboil	470.06	K	Joback Calculated Property
Tc	701.46	K	Joback Calculated Property
Tfus	331.45	K	Joback Calculated Property
Vc	0.455	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[267.99; 350.00]	J/mol×K	[470.06; 701.46]
Cp,gas	267.99	J/mol×K	470.06	Joback Calculated Property
Cp,gas	283.95	J/mol×K	508.63	Joback Calculated Property
Cp,gas	298.94	J/mol×K	547.19	Joback Calculated Property
Cp,gas	312.99	J/mol×K	585.76	Joback Calculated Property
Cp,gas	326.16	J/mol×K	624.33	Joback Calculated Property
Cp,gas	338.48	J/mol×K	662.89	Joback Calculated Property
Cp,gas	350.00	J/mol×K	701.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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