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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.71	kJ/mol	Joback Calculated Property
logPoct/wat	-0.286		Crippen Calculated Property
McVol	117.530	ml/mol	McGowan Calculated Property
Inp	[1542.70; 1542.70]
Inp	1542.70		NIST
Inp	1542.70		NIST
Tboil	613.36	K	Relay (1.0) Calculated Property
Tfus	353.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.35; 340.18]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.73830e+01
Coefficient B			4.45800e-01
Coefficient C			-1.18400e-04
Coefficient D			-4.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.35	J/mol×K	273.00	Calculated Property
Cp,gas	198.30	J/mol×K	353.78	Calculated Property
Cp,gas	225.09	J/mol×K	434.56	Calculated Property
Cp,gas	249.57	J/mol×K	515.33	Calculated Property
Cp,gas	271.61	J/mol×K	596.11	Calculated Property
Cp,gas	291.06	J/mol×K	676.89	Calculated Property
Cp,gas	307.78	J/mol×K	757.67	Calculated Property
Cp,gas	321.64	J/mol×K	838.44	Calculated Property
Cp,gas	332.49	J/mol×K	919.22	Calculated Property
Cp,gas	340.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.