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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2370		Relay (1.0) Calculated Property
ΔfH°gas	-200.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.05	kJ/mol	Joback Calculated Property
ΔvapH°	66.38	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) 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
Inp	1358.00		NIST
Tboil	521.67	K	Relay (1.0) Calculated Property
Tc	763.43	K	Relay (1.0) Calculated Property
Tfus	325.42	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.