Chemical Properties of Butane, 2-(ethylthio)- (CAS 5008-72-0)

InChI

InChI=1S/C6H14S/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3

InChI Key

JFNGZXUPUVUYST-UHFFFAOYSA-N

Formula

C6H14S

SMILES

CCSC(C)CC

Molecular Weight¹

118.24

CAS

5008-72-0

Other Names

• (1-Methylpropyl) ethyl sulfide
• 2-(Ethylthio)butane
• 4-Methyl-3-thiahexane
• Ethyl (1-methylpropyl) sulfide
• Ethyl 2-butyl sulfide
• Sulfide, sec-butyl ethyl
• sec-Butyl ethyl 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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°	30.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.58	kJ/mol	Joback Calculated Property
ΔfusH°	11.90	kJ/mol	Joback Calculated Property
ΔvapH°	35.38	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	3195.54	kPa	Joback Calculated Property
Inp	[841.00; 850.00]
Inp	850.00		NIST
Inp	841.00		NIST
Inp	850.00		NIST
Inp	850.00		NIST
Inp	850.00		NIST
Tboil	406.80 ± 0.40	K	NIST
Tc	598.38	K	Joback Calculated Property
Tfus	176.78	K	Joback Calculated Property
Vc	0.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.46; 270.69]	J/mol×K	[405.02; 598.38]
Cp,gas	206.46	J/mol×K	405.02	Joback Calculated Property
Cp,gas	218.30	J/mol×K	437.25	Joback Calculated Property
Cp,gas	229.68	J/mol×K	469.47	Joback Calculated Property
Cp,gas	240.61	J/mol×K	501.70	Joback Calculated Property
Cp,gas	251.08	J/mol×K	533.93	Joback Calculated Property
Cp,gas	261.10	J/mol×K	566.16	Joback Calculated Property
Cp,gas	270.69	J/mol×K	598.38	Joback Calculated Property
ΔvapH	[39.00; 41.20]	kJ/mol	[369.00; 377.00]
ΔvapH	41.20	kJ/mol	369.00	NIST
ΔvapH	39.00	kJ/mol	377.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[301.44; 432.61]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47793e+01
Coefficient B			-3.58233e+03
Coefficient C			-5.42400e+01
Temperature range, min.			301.44
Temperature range, max.			432.61
Pvap	1.33	kPa	301.44	Calculated Property
Pvap	2.99	kPa	316.01	Calculated Property
Pvap	6.15	kPa	330.59	Calculated Property
Pvap	11.77	kPa	345.16	Calculated Property
Pvap	21.18	kPa	359.74	Calculated Property
Pvap	36.13	kPa	374.31	Calculated Property
Pvap	58.82	kPa	388.89	Calculated Property
Pvap	91.95	kPa	403.46	Calculated Property
Pvap	138.68	kPa	418.04	Calculated Property
Pvap	202.65	kPa	432.61	Calculated Property

Similar Compounds

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

Sources

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

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