Chemical Properties of Butane, 2-(methylthio)- (CAS 10359-64-5)

InChI

InChI=1S/C5H12S/c1-4-5(2)6-3/h5H,4H2,1-3H3

InChI Key

IJRCRFQMYAJPPO-UHFFFAOYSA-N

Formula

C5H12S

SMILES

CCC(C)SC

Molecular Weight¹

104.21

CAS

10359-64-5

Other Names

• 2-(Methylthio)butane
• 3-Methyl-2-thiapentane
• Methyl 2-butyl sulfide
• Methyl sec-butyl sulfide
• Sulfide, sec-butyl methyl
• sec-Butyl methyl 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.2483		Relay (1.0) Calculated Property
ΔfG°	21.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-124.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.31	kJ/mol	Joback Calculated Property
ΔvapH°	35.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-1.60		Relay (1.0) Calculated Property
logPoct/wat	2.148		Crippen Calculated Property
McVol	97.660	ml/mol	McGowan Calculated Property
Pc	3572.80	kPa	Joback Calculated Property
Inp	[773.00; 805.00]
Inp	780.00		NIST
Inp	784.00		NIST
Inp	790.00		NIST
Inp	796.00		NIST
Inp	780.00		NIST
Inp	773.00		NIST
Inp	805.00		NIST
Inp	780.00		NIST
Tboil	383.19	K	Relay (1.0) Calculated Property
Tc	566.54	K	Relay (1.0) Calculated Property
Tfus	166.88	K	Relay (1.0) Calculated Property
Vc	0.341	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.65; 226.28]	J/mol×K	[382.14; 576.94]
Cp,gas	169.65	J/mol×K	382.14	Joback Calculated Property
Cp,gas	180.05	J/mol×K	414.61	Joback Calculated Property
Cp,gas	190.07	J/mol×K	447.07	Joback Calculated Property
Cp,gas	199.69	J/mol×K	479.54	Joback Calculated Property
Cp,gas	208.93	J/mol×K	512.01	Joback Calculated Property
Cp,gas	217.80	J/mol×K	544.47	Joback Calculated Property
Cp,gas	226.28	J/mol×K	576.94	Joback Calculated Property
ΔvapH	38.50	kJ/mol	353.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[282.61; 402.48]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43479e+01
Coefficient B			-3.03162e+03
Coefficient C			-6.69910e+01
Temperature range, min.			282.61
Temperature range, max.			402.48
Pvap	1.33	kPa	282.61	Calculated Property
Pvap	3.02	kPa	295.93	Calculated Property
Pvap	6.26	kPa	309.25	Calculated Property
Pvap	12.01	kPa	322.57	Calculated Property
Pvap	21.62	kPa	335.89	Calculated Property
Pvap	36.80	kPa	349.20	Calculated Property
Pvap	59.72	kPa	362.52	Calculated Property
Pvap	92.95	kPa	375.84	Calculated Property
Pvap	139.47	kPa	389.16	Calculated Property
Pvap	202.64	kPa	402.48	Calculated Property

Similar Compounds

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

Sources

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

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