Chemical Properties of 3,5-Dithiahexanol 5,5-dioxide (CAS 68483-74-9)

InChI

InChI=1S/C4H10O3S2/c1-9(6,7)4-8-3-2-5/h5H,2-4H2,1H3

InChI Key

IHCZCIDTAQHMPU-UHFFFAOYSA-N

Formula

C4H10O3S2

SMILES

CS(=O)(=O)CSCCO

Molecular Weight¹

170.25

CAS

68483-74-9

Other Names

• 2-(((Methylsulfonyl)methyl)thio)ethanol

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6790		Relay (... Calculated Property
ΔfG°	-589.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-565.38	kJ/mol	Relay (... Calculated Property
ΔfusH°	25.71	kJ/mol	Joback Calculated Property
ΔvapH°	101.15	kJ/mol	Relay (... Calculated Property
IE	9.97	eV	Relay (... Calculated Property
log10WS	0.06		Relay (... Calculated Property
logPoct/wat	-0.286		Crippen Calculated Property
McVol	117.530	ml/mol	McGowan Calculated Property
Pc	5585.83	kPa	Joback Calculated Property
Inp	[1542.70; 1542.70]
Inp	1542.70		NIST
Inp	1542.70		NIST
Tboil	613.36	K	Relay (... Calculated Property
Tc	845.53	K	Relay (... Calculated Property
Tfus	356.90	K	Relay (... Calculated Property
Vc	0.398	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.01; 291.62]	J/mol×K	[499.66; 679.38]
Cp,gas	245.01	J/mol×K	499.66	Joback Calculated Property
Cp,gas	253.65	J/mol×K	529.61	Joback Calculated Property
Cp,gas	261.95	J/mol×K	559.57	Joback Calculated Property
Cp,gas	269.91	J/mol×K	589.52	Joback Calculated Property
Cp,gas	277.51	J/mol×K	619.47	Joback Calculated Property
Cp,gas	284.75	J/mol×K	649.42	Joback Calculated Property
Cp,gas	291.62	J/mol×K	679.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dithiahexanol 5,5-dioxide.

Sources

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

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