Chemical Properties of Butyl isobutyl sulfide (CAS 1741-85-1)

InChI

InChI=1S/C8H18S/c1-4-5-6-9-7-8(2)3/h8H,4-7H2,1-3H3

InChI Key

PWXRDOSRCIGJDM-UHFFFAOYSA-N

Formula

C8H18S

SMILES

CCCCSCC(C)C

Molecular Weight¹

146.29

CAS

1741-85-1

Other Names

• 2-methyl-4-thiaoctane

• 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°	47.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-171.86	kJ/mol	Joback Calculated Property
ΔfusH°	17.08	kJ/mol	Joback Calculated Property
ΔvapH°	39.83	kJ/mol	Joback Calculated Property
log10WS	-2.81		Crippen Calculated Property
logPoct/wat	3.176		Crippen Calculated Property
McVol	139.930	ml/mol	McGowan Calculated Property
Pc	2600.43	kPa	Joback Calculated Property
Inp	[1037.00; 1037.00]
Inp	1037.00		NIST
Inp	1037.00		NIST
Inp	1037.00		NIST
Tboil	450.78	K	Joback Calculated Property
Tc	640.58	K	Joback Calculated Property
Tfus	199.32	K	Joback Calculated Property
Vc	0.531	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.04; 364.09]	J/mol×K	[450.78; 640.58]
Cp,gas	287.04	J/mol×K	450.78	Joback Calculated Property
Cp,gas	301.31	J/mol×K	482.41	Joback Calculated Property
Cp,gas	315.00	J/mol×K	514.05	Joback Calculated Property
Cp,gas	328.11	J/mol×K	545.68	Joback Calculated Property
Cp,gas	340.66	J/mol×K	577.31	Joback Calculated Property
Cp,gas	352.65	J/mol×K	608.94	Joback Calculated Property
Cp,gas	364.09	J/mol×K	640.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyl isobutyl sulfide.

Sources

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

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