Chemical Properties of [1,4,5]Oxadithiepane (CAS 3886-40-6)

InChI

InChI=1S/C4H8OS2/c1-3-6-7-4-2-5-1/h1-4H2

InChI Key

DFBDMKHCEZTHOH-UHFFFAOYSA-N

Formula

C4H8OS2

SMILES

C1CSSCCO1

Molecular Weight¹

136.24

CAS

3886-40-6

Other Names

• 1,4,5-Oxadithiapane

• 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°	-3.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-98.87	kJ/mol	Joback Calculated Property
ΔfusH°	10.07	kJ/mol	Joback Calculated Property
ΔvapH°	41.54	kJ/mol	Joback Calculated Property
log10WS	-1.24		Crippen Calculated Property
logPoct/wat	1.398		Crippen Calculated Property
McVol	94.930	ml/mol	McGowan Calculated Property
Pc	5406.57	kPa	Joback Calculated Property
Inp	[1118.00; 1172.00]
Inp	1172.00		NIST
Inp	1118.00		NIST
Inp	1162.70		NIST
Inp	1118.00		NIST
Tboil	442.02	K	Joback Calculated Property
Tc	698.46	K	Joback Calculated Property
Tfus	336.41	K	Joback Calculated Property
Vc	0.298	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.60; 234.95]	J/mol×K	[442.02; 698.46]
Cp,gas	170.60	J/mol×K	442.02	Joback Calculated Property
Cp,gas	183.35	J/mol×K	484.76	Joback Calculated Property
Cp,gas	195.25	J/mol×K	527.50	Joback Calculated Property
Cp,gas	206.33	J/mol×K	570.24	Joback Calculated Property
Cp,gas	216.63	J/mol×K	612.98	Joback Calculated Property
Cp,gas	226.16	J/mol×K	655.72	Joback Calculated Property
Cp,gas	234.95	J/mol×K	698.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to [1,4,5]Oxadithiepane.

Sources

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

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