Chemical Properties of 1,3-Dithiane, 2,2-dimethyl- (CAS 6007-22-3)

InChI

InChI=1S/C6H12S2/c1-6(2)7-4-3-5-8-6/h3-5H2,1-2H3

InChI Key

YRFVUSVRBICMRJ-UHFFFAOYSA-N

Formula

C6H12S2

SMILES

CC1(C)SCCCS1

Molecular Weight¹

148.29

CAS

6007-22-3

Other Names

• m-Dithiane, 2,2-dimethyl-
• 2,2-Dimethyl-1,3-dithiane

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[139.80; 373.94]	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			-7.45200e+01
Coefficient B			1.01666e+00
Coefficient C			-9.53600e-04
Coefficient D			3.85400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.80	J/mol×K	273.00	Calculated Property
Cp,gas	182.87	J/mol×K	353.78	Calculated Property
Cp,gas	218.83	J/mol×K	434.56	Calculated Property
Cp,gas	248.90	J/mol×K	515.33	Calculated Property
Cp,gas	274.30	J/mol×K	596.11	Calculated Property
Cp,gas	296.25	J/mol×K	676.89	Calculated Property
Cp,gas	315.97	J/mol×K	757.67	Calculated Property
Cp,gas	334.68	J/mol×K	838.44	Calculated Property
Cp,gas	353.60	J/mol×K	919.22	Calculated Property
Cp,gas	373.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dithiane, 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

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