Chemical Properties of 2-Isopropyl-1,3-dithiolane (CAS 26733-24-4)

InChI

InChI=1S/C6H12S2/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H3

InChI Key

CMOLCULWXQDIMM-UHFFFAOYSA-N

Formula

C6H12S2

SMILES

CC(C)C1SCCS1

Molecular Weight¹

148.29

CAS

26733-24-4

• 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°	113.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-21.45	kJ/mol	Joback Calculated Property
ΔfusH°	9.02	kJ/mol	Joback Calculated Property
ΔvapH°	40.44	kJ/mol	Joback Calculated Property
log10WS	-2.36		Crippen Calculated Property
logPoct/wat	2.449		Crippen Calculated Property
McVol	117.240	ml/mol	McGowan Calculated Property
Pc	3819.82	kPa	Joback Calculated Property
Inp	[1144.00; 1216.00]
Inp	1163.00		NIST
Inp	1175.00		NIST
Inp	1196.00		NIST
Inp	1216.00		NIST
Inp	1144.00		NIST
Inp	1199.00		NIST
Inp	1144.00		NIST
Inp	1163.00		NIST
Tboil	447.18	K	Joback Calculated Property
Tc	682.42	K	Joback Calculated Property
Tfus	320.18	K	Joback Calculated Property
Vc	0.399	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.28; 302.04]	J/mol×K	[447.18; 682.42]
Cp,gas	226.28	J/mol×K	447.18	Joback Calculated Property
Cp,gas	241.07	J/mol×K	486.39	Joback Calculated Property
Cp,gas	254.94	J/mol×K	525.59	Joback Calculated Property
Cp,gas	267.93	J/mol×K	564.80	Joback Calculated Property
Cp,gas	280.08	J/mol×K	604.01	Joback Calculated Property
Cp,gas	291.44	J/mol×K	643.22	Joback Calculated Property
Cp,gas	302.04	J/mol×K	682.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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