Chemical Properties of Butane, 2-methyl-2-(methylthio)- (CAS 13286-92-5)

InChI

InChI=1S/C6H14S/c1-5-6(2,3)7-4/h5H2,1-4H3

InChI Key

SJOHDSPLOVBXOF-UHFFFAOYSA-N

Formula

C6H14S

SMILES

CCC(C)(C)SC

Molecular Weight¹

118.24

CAS

13286-92-5

Other Names

• 2-Methyl-2-(methylsulfanyl)butane
• 3,3-Dimethyl-2-thiapentane
• Methyl tert-pentyl sulfide
• Sulfide, methyl tert-pentyl

• 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°	35.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-134.05	kJ/mol	Joback Calculated Property
ΔfusH°	8.01	kJ/mol	Joback Calculated Property
ΔvapH°	34.47	kJ/mol	Joback Calculated Property
log10WS	-2.33		Crippen Calculated Property
logPoct/wat	2.538		Crippen Calculated Property
McVol	111.750	ml/mol	McGowan Calculated Property
Pc	3235.66	kPa	Joback Calculated Property
Inp	[847.00; 847.00]
Inp	847.00		NIST
Inp	847.00		NIST
Inp	847.00		NIST
Inp	847.00		NIST
Tboil	402.23	K	Joback Calculated Property
Tc	604.13	K	Joback Calculated Property
Tfus	194.20	K	Joback Calculated Property
Vc	0.414	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.29; 276.44]	J/mol×K	[402.23; 604.13]
Cp,gas	208.29	J/mol×K	402.23	Joback Calculated Property
Cp,gas	221.25	J/mol×K	435.88	Joback Calculated Property
Cp,gas	233.54	J/mol×K	469.53	Joback Calculated Property
Cp,gas	245.18	J/mol×K	503.18	Joback Calculated Property
Cp,gas	256.20	J/mol×K	536.83	Joback Calculated Property
Cp,gas	266.61	J/mol×K	570.48	Joback Calculated Property
Cp,gas	276.44	J/mol×K	604.13	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[314.40; 424.53]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.69742e+01
Coefficient B			-4.26602e+03
Coefficient C			-5.87440e+01
Temperature range, min.			314.40
Temperature range, max.			424.53
Pvap	1.33	kPa	314.40	Calculated Property
Pvap	2.86	kPa	326.64	Calculated Property
Pvap	5.73	kPa	338.87	Calculated Property
Pvap	10.84	kPa	351.11	Calculated Property
Pvap	19.47	kPa	363.35	Calculated Property
Pvap	33.44	kPa	375.58	Calculated Property
Pvap	55.18	kPa	387.82	Calculated Property
Pvap	87.82	kPa	400.06	Calculated Property
Pvap	135.36	kPa	412.29	Calculated Property
Pvap	202.67	kPa	424.53	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 2-methyl-2-(methylthio)-.

Sources

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

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