Chemical Properties of Butane, 3-methyl-1-(methylthio)- (CAS 13286-90-3)

InChI

InChI=1S/C6H14S/c1-6(2)4-5-7-3/h6H,4-5H2,1-3H3

InChI Key

ABIKQXWLJOURPN-UHFFFAOYSA-N

Formula

C6H14S

SMILES

CSCCC(C)C

Molecular Weight¹

118.24

CAS

13286-90-3

Other Names

• (3-Methylbutyl) methyl sulfide
• 3-Methyl-1-(methylsulfanyl)butane
• 5-Methyl-2-thiahexane
• Methyl isopentyl sulfide
• Sulfide, isopentyl methyl

• 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).
• P_vap : Vapor 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°	30.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.58	kJ/mol	Joback Calculated Property
ΔfusH°	11.90	kJ/mol	Joback Calculated Property
ΔvapH°	35.38	kJ/mol	Joback Calculated Property
log10WS	-1.98		Crippen Calculated Property
logPoct/wat	2.396		Crippen Calculated Property
McVol	111.750	ml/mol	McGowan Calculated Property
Pc	3195.54	kPa	Joback Calculated Property
Inp	[862.00; 880.00]
Inp	880.00		NIST
Inp	869.00		NIST
Inp	880.00		NIST
Inp	880.00		NIST
Inp	870.00		NIST
Inp	862.00		NIST
Inp	864.00		NIST
Inp	880.00		NIST
Inp	869.00		NIST
Tboil	405.02	K	Joback Calculated Property
Tc	598.38	K	Joback Calculated Property
Tfus	176.78	K	Joback Calculated Property
Vc	0.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.46; 270.69]	J/mol×K	[405.02; 598.38]
Cp,gas	206.46	J/mol×K	405.02	Joback Calculated Property
Cp,gas	218.30	J/mol×K	437.25	Joback Calculated Property
Cp,gas	229.68	J/mol×K	469.47	Joback Calculated Property
Cp,gas	240.61	J/mol×K	501.70	Joback Calculated Property
Cp,gas	251.08	J/mol×K	533.93	Joback Calculated Property
Cp,gas	261.10	J/mol×K	566.16	Joback Calculated Property
Cp,gas	270.69	J/mol×K	598.38	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[304.92; 427.67]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55217e+01
Coefficient B			-3.80046e+03
Coefficient C			-5.54500e+01
Temperature range, min.			304.92
Temperature range, max.			427.67
Pvap	1.33	kPa	304.92	Calculated Property
Pvap	2.94	kPa	318.56	Calculated Property
Pvap	5.98	kPa	332.20	Calculated Property
Pvap	11.41	kPa	345.84	Calculated Property
Pvap	20.52	kPa	359.48	Calculated Property
Pvap	35.09	kPa	373.11	Calculated Property
Pvap	57.42	kPa	386.75	Calculated Property
Pvap	90.38	kPa	400.39	Calculated Property
Pvap	137.43	kPa	414.03	Calculated Property
Pvap	202.65	kPa	427.67	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 3-methyl-1-(methylthio)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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