Chemical Properties of Methyl pentyl disulfide (CAS 72437-68-4)

InChI

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

InChI Key

VDJXDNLYBDHPHP-UHFFFAOYSA-N

Formula

C6H14S2

SMILES

CCCCCSSC

Molecular Weight¹

150.31

CAS

72437-68-4

Other Names

• 2,3-Dithiaoctane
• Amyl methyl disulfide
• Disulfide, methyl pentyl
• Methyl n-amyl disulfide
• Methyl n-pentyl 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°	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	[1142.00; 1150.00]
Inp	1142.00		NIST
Inp	1150.00		NIST
Inp	1142.00		NIST
Inp	1142.00		NIST
Inp	1142.00		NIST
Inp	1150.00		NIST
I	[1445.00; 1463.00]
I	1445.00		NIST
I	1463.00		NIST
I	1445.00		NIST
I	1463.00		NIST
Tboil	474.24	K	Joback Calculated Property
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; 202.67]	kPa	[352.52; 492.06]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53867e+01
Coefficient B			-4.22524e+03
Coefficient C			-7.26860e+01
Temperature range, min.			352.52
Temperature range, max.			492.06
Pvap	1.33	kPa	352.52	Calculated Property
Pvap	2.95	kPa	368.02	Calculated Property
Pvap	6.01	kPa	383.53	Calculated Property
Pvap	11.47	kPa	399.03	Calculated Property
Pvap	20.63	kPa	414.54	Calculated Property
Pvap	35.27	kPa	430.04	Calculated Property
Pvap	57.67	kPa	445.55	Calculated Property
Pvap	90.66	kPa	461.05	Calculated Property
Pvap	137.66	kPa	476.56	Calculated Property
Pvap	202.67	kPa	492.06	Calculated Property

Similar Compounds

Find more compounds similar to Methyl pentyl 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.