Chemical Properties of Propane, 2-methyl-2-[(1-methylethyl)thio]- (CAS 44657-76-3)

InChI

InChI=1S/C7H16S/c1-6(2)8-7(3,4)5/h6H,1-5H3

InChI Key

OBGJHUWOEJFPJS-UHFFFAOYSA-N

Formula

C7H16S

SMILES

CC(C)SC(C)(C)C

Molecular Weight¹

132.27

CAS

44657-76-3

Other Names

• tert-Butyl isopropyl sulfide
• 2,4,4-Trimethyl-3-thiapentane
• Sulfide, tert-butyl isopropyl
• Isopropyl tert-butyl sulfide

• 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_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).
• I_np : Non-polar retention indices.
• 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
ΔfG°	41.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-159.97	kJ/mol	Joback Calculated Property
ΔfusH°	7.08	kJ/mol	Joback Calculated Property
ΔvapH°	36.31	kJ/mol	Joback Calculated Property
log10WS	-2.86		Crippen Calculated Property
logPoct/wat	2.926		Crippen Calculated Property
McVol	125.840	ml/mol	McGowan Calculated Property
Pc	2934.52	kPa	Joback Calculated Property
Inp	[835.00; 835.00]
Inp	835.00		NIST
Inp	835.00		NIST
Inp	835.00		NIST
Inp	835.00		NIST
Tboil	424.67	K	Joback Calculated Property
Tc	629.44	K	Joback Calculated Property
Tfus	190.47	K	Joback Calculated Property
Vc	0.465	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.76; 324.42]	J/mol×K	[424.67; 629.44]
Cp,gas	247.76	J/mol×K	424.67	Joback Calculated Property
Cp,gas	262.38	J/mol×K	458.80	Joback Calculated Property
Cp,gas	276.23	J/mol×K	492.93	Joback Calculated Property
Cp,gas	289.33	J/mol×K	527.06	Joback Calculated Property
Cp,gas	301.71	J/mol×K	561.18	Joback Calculated Property
Cp,gas	313.40	J/mol×K	595.31	Joback Calculated Property
Cp,gas	324.42	J/mol×K	629.44	Joback Calculated Property

Similar Compounds

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

Sources

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

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