Chemical Properties of Butane, 2-methyl-3-(methylthio)- (CAS 53897-51-1)

InChI

InChI=1S/C6H14S/c1-5(2)6(3)7-4/h5-6H,1-4H3

InChI Key

AUNQXXJGFDKEMS-UHFFFAOYSA-N

Formula

C6H14S

SMILES

CSC(C)C(C)C

Molecular Weight¹

118.24

CAS

53897-51-1

Other Names

• 3,4-Dimethyl-2-thiapentane
• Methyl (1,2-dimethylpropyl) 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).
• 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°	27.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-135.86	kJ/mol	Joback Calculated Property
ΔfusH°	8.38	kJ/mol	Joback Calculated Property
ΔvapH°	34.99	kJ/mol	Joback Calculated Property
log10WS	-2.09		Crippen Calculated Property
logPoct/wat	2.394		Crippen Calculated Property
McVol	111.750	ml/mol	McGowan Calculated Property
Pc	3224.64	kPa	Joback Calculated Property
Inp	[862.00; 862.00]
Inp	862.00		NIST
Inp	862.00		NIST
Inp	862.00		NIST
Inp	862.00		NIST
Tboil	404.58	K	Joback Calculated Property
Tc	602.65	K	Joback Calculated Property
Tfus	161.78	K	Joback Calculated Property
Vc	0.413	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.45; 272.54]	J/mol×K	[404.58; 602.65]
Cp,gas	206.45	J/mol×K	404.58	Joback Calculated Property
Cp,gas	218.68	J/mol×K	437.59	Joback Calculated Property
Cp,gas	230.42	J/mol×K	470.60	Joback Calculated Property
Cp,gas	241.66	J/mol×K	503.61	Joback Calculated Property
Cp,gas	252.43	J/mol×K	536.62	Joback Calculated Property
Cp,gas	262.72	J/mol×K	569.63	Joback Calculated Property
Cp,gas	272.54	J/mol×K	602.65	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[296.92; 430.52]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44961e+01
Coefficient B			-3.47042e+03
Coefficient C			-5.26700e+01
Temperature range, min.			296.92
Temperature range, max.			430.52
Pvap	1.33	kPa	296.92	Calculated Property
Pvap	3.01	kPa	311.76	Calculated Property
Pvap	6.22	kPa	326.61	Calculated Property
Pvap	11.93	kPa	341.45	Calculated Property
Pvap	21.46	kPa	356.30	Calculated Property
Pvap	36.56	kPa	371.14	Calculated Property
Pvap	59.40	kPa	385.99	Calculated Property
Pvap	92.59	kPa	400.83	Calculated Property
Pvap	139.19	kPa	415.68	Calculated Property
Pvap	202.64	kPa	430.52	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 2-methyl-3-(methylthio)-.

Sources

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

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