Chemical Properties of Disulfide, bis(1-methylpropyl) (CAS 5943-30-6)

InChI

InChI=1S/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3

InChI Key

QTWKINKGAHTPFJ-UHFFFAOYSA-N

Formula

C8H18S2

SMILES

CCC(C)SSC(C)CC

Molecular Weight¹

178.36

CAS

5943-30-6

Other Names

• 1-Methylpropyl disulfide
• 2-(Sec-butyldisulfanyl)butane
• 3,6-Dimethyl-4,5-dithiaoctane
• Bis(2-butyl) disulfide
• Di(1-methylpropyl) disulfide
• Di-sec-butyl disulfide
• bis(1-Methylpropyl) disulfide
• bis(sec-butyl) disulphide
• sec-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_boilr : Boiling point at reduced pressure (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°	77.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-135.27	kJ/mol	Joback Calculated Property
ΔfusH°	17.69	kJ/mol	Joback Calculated Property
ΔvapH°	46.26	kJ/mol	Joback Calculated Property
log10WS	-4.15		Crippen Calculated Property
logPoct/wat	3.965		Crippen Calculated Property
McVol	156.280	ml/mol	McGowan Calculated Property
Pc	2668.02	kPa	Joback Calculated Property
Inp	[1212.00; 1220.00]
Inp	1212.00		NIST
Inp	1220.00		NIST
Inp	1212.00		NIST
Inp	1212.00		NIST
I	1475.00		NIST
Tboil	519.12	K	Joback Calculated Property
Tc	734.48	K	Joback Calculated Property
Tfus	218.72	K	Joback Calculated Property
Vc	0.580	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[341.26; 421.93]	J/mol×K	[519.12; 734.48]
Cp,gas	341.26	J/mol×K	519.12	Joback Calculated Property
Cp,gas	356.56	J/mol×K	555.01	Joback Calculated Property
Cp,gas	371.10	J/mol×K	590.91	Joback Calculated Property
Cp,gas	384.91	J/mol×K	626.80	Joback Calculated Property
Cp,gas	397.97	J/mol×K	662.70	Joback Calculated Property
Cp,gas	410.31	J/mol×K	698.59	Joback Calculated Property
Cp,gas	421.93	J/mol×K	734.48	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[393.00; 437.20]	K	[1.60; 98.50]
Tboilr	393.00	K	1.60	NIST
Tboilr	437.20	K	98.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[364.40; 539.69]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.35538e+01
Coefficient B			-3.81518e+03
Coefficient C			-7.68140e+01
Temperature range, min.			364.40
Temperature range, max.			539.69
Pvap	1.33	kPa	364.40	Calculated Property
Pvap	3.09	kPa	383.88	Calculated Property
Pvap	6.49	kPa	403.35	Calculated Property
Pvap	12.53	kPa	422.83	Calculated Property
Pvap	22.54	kPa	442.31	Calculated Property
Pvap	38.22	kPa	461.78	Calculated Property
Pvap	61.60	kPa	481.26	Calculated Property
Pvap	95.02	kPa	500.74	Calculated Property
Pvap	141.09	kPa	520.21	Calculated Property
Pvap	202.65	kPa	539.69	Calculated Property

Similar Compounds

Find more compounds similar to Disulfide, bis(1-methylpropyl).

Sources

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

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