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

• 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	0.2723		Relay (1.0) Calculated Property
ΔfG°	27.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-146.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.38	kJ/mol	Joback Calculated Property
ΔvapH°	39.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-2.44		Relay (1.0) 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	403.37	K	Relay (1.0) Calculated Property
Tc	587.90	K	Relay (1.0) Calculated Property
Tfus	191.08	K	Relay (1.0) Calculated Property
Vc	0.388	m3/kmol	Relay (1.0) 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 Yaws Handbook of Vapor Pressure
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

• 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.