Chemical Properties of 1,4,7-Oxadithionane (CAS 40474-73-5)

InChI

InChI=1S/C6H12OS2/c1-3-8-5-6-9-4-2-7-1/h1-6H2

InChI Key

QBAJKVKUJJDYBE-UHFFFAOYSA-N

Formula

C6H12OS2

SMILES

C1CSCCSCCO1

Molecular Weight¹

164.29

CAS

40474-73-5

• 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°	-10.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-152.47	kJ/mol	Joback Calculated Property
ΔfusH°	11.05	kJ/mol	Joback Calculated Property
ΔvapH°	46.34	kJ/mol	Joback Calculated Property
log10WS	-1.08		Crippen Calculated Property
logPoct/wat	1.483		Crippen Calculated Property
McVol	123.110	ml/mol	McGowan Calculated Property
Pc	4432.62	kPa	Joback Calculated Property
Inp	[1358.00; 1421.00]
Inp	1358.00		NIST
Inp	1421.00		NIST
Tboil	496.32	K	Joback Calculated Property
Tc	764.03	K	Joback Calculated Property
Tfus	351.91	K	Joback Calculated Property
Vc	0.395	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.02; 340.10]	J/mol×K	[496.32; 764.03]
Cp,gas	251.02	J/mol×K	496.32	Joback Calculated Property
Cp,gas	268.77	J/mol×K	540.94	Joback Calculated Property
Cp,gas	285.35	J/mol×K	585.56	Joback Calculated Property
Cp,gas	300.77	J/mol×K	630.18	Joback Calculated Property
Cp,gas	315.02	J/mol×K	674.79	Joback Calculated Property
Cp,gas	328.13	J/mol×K	719.41	Joback Calculated Property
Cp,gas	340.10	J/mol×K	764.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4,7-Oxadithionane.

Sources

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

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