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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.2431		Relay (1.0) Calculated Property
ΔfG°	35.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-156.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.01	kJ/mol	Joback Calculated Property
ΔvapH°	38.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-2.16		Relay (1.0) 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	396.96	K	Relay (1.0) Calculated Property
Tc	591.45	K	Relay (1.0) Calculated Property
Tfus	191.10	K	Relay (1.0) Calculated Property
Vc	0.387	m3/kmol	Relay (1.0) 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 Yaws Handbook of Vapor Pressure
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.