Chemical Properties of Propane, 2-[(1,1-dimethylethyl)sulfonyl]-2-methyl-

InChI

InChI=1S/C8H18O2S/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3

InChI Key

SPJQDMKTFSPPLO-UHFFFAOYSA-N

Formula

C8H18O2S

SMILES

CC(C)(C)S(=O)(=O)C(C)(C)C

Molecular Weight¹

178.30

Other Names

• Di-tert-Butyl sulfone
• tert-Butyl Sulfone
• Di-tert-butyl sulphone
• 2-((1,1-Dimethylethyl)-sulphonyl)-2-methylpropane

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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
ΔcH°solid	-5682.50 ± 2.20	kJ/mol	NIST
ΔfH°gas	-546.30 ± 2.50	kJ/mol	NIST
ΔfH°solid	-640.40 ± 2.30	kJ/mol	NIST
ΔfusH°	13.03	kJ/mol	Joback Calculated Property
logPoct/wat	1.998		Crippen Calculated Property
McVol	151.670	ml/mol	McGowan Calculated Property
Tboil	521.00 ± 3.00	K	NIST
Tfus	[403.00; 403.00]	K
Tfus	403.00 ± 3.00	K	NIST
Tfus	403.00 ± 2.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[218.29; 504.22]	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			-2.00900e+01
Coefficient B			1.04911e+00
Coefficient C			-6.89400e-04
Coefficient D			1.64600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.29	J/mol×K	273.00	Calculated Property
Cp,gas	272.07	J/mol×K	353.78	Calculated Property
Cp,gas	319.13	J/mol×K	434.56	Calculated Property
Cp,gas	360.00	J/mol×K	515.33	Calculated Property
Cp,gas	395.19	J/mol×K	596.11	Calculated Property
Cp,gas	425.22	J/mol×K	676.89	Calculated Property
Cp,gas	450.62	J/mol×K	757.67	Calculated Property
Cp,gas	471.91	J/mol×K	838.44	Calculated Property
Cp,gas	489.60	J/mol×K	919.22	Calculated Property
Cp,gas	504.22	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2-[(1,1-dimethylethyl)sulfonyl]-2-methyl-.

Sources

• 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.
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