Chemical Properties of Disulfide, bis(3-methylbutyl) (CAS 2051-04-9)

InChI

InChI=1S/C10H22S2/c1-9(2)5-7-11-12-8-6-10(3)4/h9-10H,5-8H2,1-4H3

InChI Key

MPYGLNNTOXLWOB-UHFFFAOYSA-N

Formula

C10H22S2

SMILES

CC(C)CCSSCCC(C)C

Molecular Weight¹

206.41

CAS

2051-04-9

Other Names

• 2,9-Dimethyl-5,6-dithiadecane
• 5,6-Dithia-2,9-dimethyldecane
• Bis(3-methyl-1-butyl) disulfide
• Bis(3-methylbutyl) disulfide
• Diisoamyl disulfide
• Diisopentyl disulfide
• Diisopentyl disulphide
• Isoamyl disulfide
• Isopentyl disulfide

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4634		Relay (1.0) Calculated Property
ΔfG°	94.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-218.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.87	kJ/mol	Joback Calculated Property
ΔvapH°	66.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-5.15		Relay (1.0) Calculated Property
logPoct/wat	4.460		Crippen Calculated Property
McVol	184.460	ml/mol	McGowan Calculated Property
Pc	2208.29	kPa	Joback Calculated Property
Inp	[1409.00; 1409.00]
Inp	1409.00		NIST
Inp	1409.00		NIST
I	1669.00		NIST
Tboil	523.20	K	NIST
Tc	704.71	K	Relay (1.0) Calculated Property
Tfus	215.26	K	Relay (1.0) Calculated Property
Vc	0.666	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.71; 524.77]	J/mol×K	[564.88; 773.35]
Cp,gas	435.71	J/mol×K	564.88	Joback Calculated Property
Cp,gas	452.65	J/mol×K	599.63	Joback Calculated Property
Cp,gas	468.73	J/mol×K	634.37	Joback Calculated Property
Cp,gas	483.97	J/mol×K	669.12	Joback Calculated Property
Cp,gas	498.38	J/mol×K	703.86	Joback Calculated Property
Cp,gas	511.98	J/mol×K	738.61	Joback Calculated Property
Cp,gas	524.77	J/mol×K	773.35	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[391.62; 555.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46855e+01
Coefficient B			-4.40385e+03
Coefficient C			-8.57520e+01
Temperature range, min.			391.62
Temperature range, max.			555.55
Pvap	1.33	kPa	391.62	Calculated Property
Pvap	2.99	kPa	409.83	Calculated Property
Pvap	6.17	kPa	428.05	Calculated Property
Pvap	11.82	kPa	446.26	Calculated Property
Pvap	21.27	kPa	464.48	Calculated Property
Pvap	36.27	kPa	482.69	Calculated Property
Pvap	59.01	kPa	500.91	Calculated Property
Pvap	92.17	kPa	519.12	Calculated Property
Pvap	138.86	kPa	537.34	Calculated Property
Pvap	202.66	kPa	555.55	Calculated Property

Similar Compounds

Find more compounds similar to Disulfide, bis(3-methylbutyl).

Sources

• Cheméo Relay (1.0)
• 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.