Chemical Properties of Butyl tert-butyl sulfide (CAS 926-47-6)

InChI

InChI=1S/C8H18S/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3

InChI Key

XRYKNXGXIFPTKH-UHFFFAOYSA-N

Formula

C8H18S

SMILES

CCCCSC(C)(C)C

Molecular Weight¹

146.29

CAS

926-47-6

Other Names

• tert-Butyl 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°	52.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-175.33	kJ/mol	Joback Calculated Property
ΔfusH°	13.19	kJ/mol	Joback Calculated Property
ΔvapH°	38.92	kJ/mol	Joback Calculated Property
log10WS	-3.17		Crippen Calculated Property
logPoct/wat	3.318		Crippen Calculated Property
McVol	139.930	ml/mol	McGowan Calculated Property
Pc	2629.85	kPa	Joback Calculated Property
Inp	[976.00; 976.00]
Inp	976.00		NIST
Inp	976.00		NIST
Inp	976.00		NIST
Inp	976.00		NIST
Tboil	447.99	K	Joback Calculated Property
Tc	645.76	K	Joback Calculated Property
Tfus	216.74	K	Joback Calculated Property
Vc	0.526	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.36; 369.75]	J/mol×K	[447.99; 645.76]
Cp,gas	289.36	J/mol×K	447.99	Joback Calculated Property
Cp,gas	304.61	J/mol×K	480.95	Joback Calculated Property
Cp,gas	319.08	J/mol×K	513.91	Joback Calculated Property
Cp,gas	332.81	J/mol×K	546.87	Joback Calculated Property
Cp,gas	345.81	J/mol×K	579.83	Joback Calculated Property
Cp,gas	358.11	J/mol×K	612.79	Joback Calculated Property
Cp,gas	369.75	J/mol×K	645.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyl tert-butyl sulfide.

Sources

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

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