Chemical Properties of 1,3-Dithiolane, 2,2-dimethyl- (CAS 6008-78-2)

InChI

InChI=1S/C5H10S2/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3

InChI Key

HEDYXMHGMMWNBO-UHFFFAOYSA-N

Formula

C5H10S2

SMILES

CC1(C)SCCS1

Molecular Weight¹

134.26

CAS

6008-78-2

Other Names

• 2,2-Dimethyl-1,3-dithiolane

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	3.66	kJ/mol	Joback Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
logPoct/wat	2.202		Crippen Calculated Property
McVol	103.150	ml/mol	McGowan Calculated Property
Inp	[1032.00; 1032.00]
Inp	1032.00		NIST
Inp	1032.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[123.48; 320.57]	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			-6.84900e+01
Coefficient B			9.31260e-01
Coefficient C			-9.45600e-04
Coefficient D			4.03400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.48	J/mol×K	273.00	Calculated Property
Cp,gas	160.48	J/mol×K	353.78	Calculated Property
Cp,gas	190.73	J/mol×K	434.56	Calculated Property
Cp,gas	215.51	J/mol×K	515.33	Calculated Property
Cp,gas	236.08	J/mol×K	596.11	Calculated Property
Cp,gas	253.72	J/mol×K	676.89	Calculated Property
Cp,gas	269.72	J/mol×K	757.67	Calculated Property
Cp,gas	285.34	J/mol×K	838.44	Calculated Property
Cp,gas	301.87	J/mol×K	919.22	Calculated Property
Cp,gas	320.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dithiolane, 2,2-dimethyl-.

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.
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