Chemical Properties of Propane, 2-[(1,1-dimethylethyl)sulfonyl]-2-methyl- (CAS 1886-75-5)

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

178.29

CAS

1886-75-5

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• 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
ΔcH°solid	-5682.50 ± 2.20	kJ/mol	NIST
ΔfG°	-446.38	kJ/mol	Joback Calculated Property
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
ΔvapH°	49.45	kJ/mol	Joback Calculated Property
log10WS	-2.23		Crippen Calculated Property
logPoct/wat	1.998		Crippen Calculated Property
McVol	151.670	ml/mol	McGowan Calculated Property
Pc	3110.57	kPa	Joback Calculated Property
Tboil	521.00 ± 3.00	K	NIST
Tc	606.70	K	Joback Calculated Property
Tfus	[403.00; 403.00]	K
Tfus	403.00 ± 3.00	K	NIST
Tfus	403.00 ± 2.00	K	NIST
Vc	0.588	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[313.21; 399.40]	J/mol×K	[423.76; 606.70]
Cp,gas	313.21	J/mol×K	423.76	Joback Calculated Property
Cp,gas	329.64	J/mol×K	454.25	Joback Calculated Property
Cp,gas	345.21	J/mol×K	484.74	Joback Calculated Property
Cp,gas	359.95	J/mol×K	515.23	Joback Calculated Property
Cp,gas	373.87	J/mol×K	545.72	Joback Calculated Property
Cp,gas	387.01	J/mol×K	576.21	Joback Calculated Property
Cp,gas	399.40	J/mol×K	606.70	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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