Chemical Properties of Ethyl n-butyl disulphide (CAS 63986-03-8)

InChI

InChI=1S/C6H14S2/c1-3-5-6-8-7-4-2/h3-6H2,1-2H3

InChI Key

QEYJAENSRLNDFW-UHFFFAOYSA-N

Formula

C6H14S2

SMILES

CCCCSSCC

Molecular Weight¹

150.31

CAS

63986-03-8

Other Names

• 3,4-Dithiaoctane
• Butyl ethyl disulfide
• Disulfide, butyl ethyl
• Ethyl n-butyl disulfide

• 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.
• I : 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°	65.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-83.43	kJ/mol	Joback Calculated Property
ΔfusH°	19.56	kJ/mol	Joback Calculated Property
ΔvapH°	42.58	kJ/mol	Joback Calculated Property
log10WS	-3.09		Crippen Calculated Property
logPoct/wat	3.188		Crippen Calculated Property
McVol	128.100	ml/mol	McGowan Calculated Property
Pc	3228.31	kPa	Joback Calculated Property
Inp	[1120.00; 1120.00]
Inp	1120.00		NIST
Inp	1120.00		NIST
I	[1427.00; 1427.00]
I	1427.00		NIST
I	1427.00		NIST
Tboil	466.00 ± 1.70	K	NIST
Tc	686.46	K	Joback Calculated Property
Tfus	226.18	K	Joback Calculated Property
Vc	0.479	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[254.01; 319.76]	J/mol×K	[474.24; 686.46]
Cp,gas	254.01	J/mol×K	474.24	Joback Calculated Property
Cp,gas	266.31	J/mol×K	509.61	Joback Calculated Property
Cp,gas	278.07	J/mol×K	544.98	Joback Calculated Property
Cp,gas	289.29	J/mol×K	580.35	Joback Calculated Property
Cp,gas	299.98	J/mol×K	615.72	Joback Calculated Property
Cp,gas	310.13	J/mol×K	651.09	Joback Calculated Property
Cp,gas	319.76	J/mol×K	686.46	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[349.48; 493.12]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50291e+01
Coefficient B			-4.09594e+03
Coefficient C			-7.16290e+01
Temperature range, min.			349.48
Temperature range, max.			493.12
Pvap	1.33	kPa	349.48	Calculated Property
Pvap	2.97	kPa	365.44	Calculated Property
Pvap	6.09	kPa	381.40	Calculated Property
Pvap	11.64	kPa	397.36	Calculated Property
Pvap	20.94	kPa	413.32	Calculated Property
Pvap	35.76	kPa	429.28	Calculated Property
Pvap	58.32	kPa	445.24	Calculated Property
Pvap	91.39	kPa	461.20	Calculated Property
Pvap	138.23	kPa	477.16	Calculated Property
Pvap	202.63	kPa	493.12	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl n-butyl disulphide.

Sources

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

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