Chemical Properties of Methyl n-butyl disulfide (CAS 60779-24-0)

InChI

InChI=1S/C5H12S2/c1-3-4-5-7-6-2/h3-5H2,1-2H3

InChI Key

ABUPWXCYFWRZKL-UHFFFAOYSA-N

Formula

C5H12S2

SMILES

CCCCSSC

Molecular Weight¹

136.28

CAS

60779-24-0

Other Names

• 1-(Methyldisulfanyl)butane
• 2,3-Diathiaheptane
• 2,3-Dithiaheptane
• Butyl methyl disulfide
• Disulfide, butyl methyl
• Methyl butyl disulfide
• Methyl n-butyl disulphide

• 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°	57.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-62.79	kJ/mol	Joback Calculated Property
ΔfusH°	16.97	kJ/mol	Joback Calculated Property
ΔvapH°	40.36	kJ/mol	Joback Calculated Property
log10WS	-2.67		Crippen Calculated Property
logPoct/wat	2.798		Crippen Calculated Property
McVol	114.010	ml/mol	McGowan Calculated Property
Pc	3611.55	kPa	Joback Calculated Property
Inp	[986.00; 1044.00]
Inp	1044.00		NIST
Inp	1016.00		NIST
Inp	986.00		NIST
Inp	1044.00		NIST
Inp	1044.00		NIST
I	[1351.00; 1366.00]
I	1351.00		NIST
I	1366.00		NIST
I	1351.00		NIST
I	1366.00		NIST
Tboil	451.36	K	Joback Calculated Property
Tc	666.63	K	Joback Calculated Property
Tfus	214.91	K	Joback Calculated Property
Vc	0.423	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.79; 272.66]	J/mol×K	[451.36; 666.63]
Cp,gas	213.79	J/mol×K	451.36	Joback Calculated Property
Cp,gas	224.75	J/mol×K	487.24	Joback Calculated Property
Cp,gas	235.26	J/mol×K	523.12	Joback Calculated Property
Cp,gas	245.30	J/mol×K	558.99	Joback Calculated Property
Cp,gas	254.88	J/mol×K	594.87	Joback Calculated Property
Cp,gas	264.00	J/mol×K	630.75	Joback Calculated Property
Cp,gas	272.66	J/mol×K	666.63	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[334.58; 470.08]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52527e+01
Coefficient B			-4.01255e+03
Coefficient C			-6.64510e+01
Temperature range, min.			334.58
Temperature range, max.			470.08
Pvap	1.33	kPa	334.58	Calculated Property
Pvap	2.95	kPa	349.64	Calculated Property
Pvap	6.04	kPa	364.69	Calculated Property
Pvap	11.53	kPa	379.75	Calculated Property
Pvap	20.75	kPa	394.80	Calculated Property
Pvap	35.45	kPa	409.86	Calculated Property
Pvap	57.91	kPa	424.91	Calculated Property
Pvap	90.93	kPa	439.97	Calculated Property
Pvap	137.87	kPa	455.02	Calculated Property
Pvap	202.65	kPa	470.08	Calculated Property

Similar Compounds

Find more compounds similar to Methyl n-butyl disulfide.

Sources

• 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.