Chemical Properties of Butane, 1-[(1-methylethyl)thio]- (CAS 7309-43-5)

InChI

InChI=1S/C7H16S/c1-4-5-6-8-7(2)3/h7H,4-6H2,1-3H3

InChI Key

QIAZGMDOMXLGBB-UHFFFAOYSA-N

Formula

C7H16S

SMILES

CCCCSC(C)C

Molecular Weight¹

132.27

CAS

7309-43-5

Other Names

• Sulfide, butyl isopropyl
• Butyl isopropyl 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°	38.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-151.22	kJ/mol	Joback Calculated Property
ΔfusH°	14.49	kJ/mol	Joback Calculated Property
ΔvapH°	37.61	kJ/mol	Joback Calculated Property
log10WS	-2.75		Crippen Calculated Property
logPoct/wat	2.928		Crippen Calculated Property
McVol	125.840	ml/mol	McGowan Calculated Property
Pc	2875.03	kPa	Joback Calculated Property
Inp	[936.00; 936.00]
Inp	936.00		NIST
Inp	936.00		NIST
Inp	936.00		NIST
Inp	936.00		NIST
Tboil	417.75 ± 0.30	K	NIST
Tc	619.57	K	Joback Calculated Property
Tfus	188.05	K	Joback Calculated Property
Vc	0.475	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.63; 316.66]	J/mol×K	[427.90; 619.57]
Cp,gas	245.63	J/mol×K	427.90	Joback Calculated Property
Cp,gas	258.76	J/mol×K	459.85	Joback Calculated Property
Cp,gas	271.36	J/mol×K	491.79	Joback Calculated Property
Cp,gas	283.45	J/mol×K	523.74	Joback Calculated Property
Cp,gas	295.02	J/mol×K	555.68	Joback Calculated Property
Cp,gas	306.08	J/mol×K	587.63	Joback Calculated Property
Cp,gas	316.66	J/mol×K	619.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1-[(1-methylethyl)thio]-.

Sources

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

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