Chemical Properties of Disulfide, ethyl 2-methylpropyl (CAS 40136-66-1)

InChI

InChI=1S/C6H14S2/c1-4-7-8-5-6(2)3/h6H,4-5H2,1-3H3

InChI Key

UMASWDYQHOTZKK-UHFFFAOYSA-N

Formula

C6H14S2

SMILES

CCSSCC(C)C

Molecular Weight¹

150.31

CAS

40136-66-1

Other Names

• Ethyl isobutyl disulfide
• 2-Methyl-4,5-dithiaheptane
• Isobutyl ethyl disulfide
• Disulfide, ethyl isobutyl
• 6-Methyl-3,4-dithiaheptane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-114.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.03	kJ/mol	Joback Calculated Property
ΔvapH°	53.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-3.31		Relay (1.0) Calculated Property
logPoct/wat	3.044		Crippen Calculated Property
McVol	128.100	ml/mol	McGowan Calculated Property
Inp	[1075.00; 1104.00]
Inp	1075.00		NIST
Inp	1075.00		NIST
Inp	1104.00		NIST
I	1363.00		NIST
Tboil	457.00 ± 1.70	K	NIST
Tc	660.33	K	Relay (1.0) Calculated Property
Tfus	182.42	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.46; 382.59]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.49520e+01
Coefficient B			5.68540e-01
Coefficient C			-2.25400e-04
Coefficient D			4.50000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.46	J/mol×K	273.00	Calculated Property
Cp,gas	208.08	J/mol×K	353.78	Calculated Property
Cp,gas	239.82	J/mol×K	434.56	Calculated Property
Cp,gas	268.70	J/mol×K	515.33	Calculated Property
Cp,gas	294.72	J/mol×K	596.11	Calculated Property
Cp,gas	317.91	J/mol×K	676.89	Calculated Property
Cp,gas	338.28	J/mol×K	757.67	Calculated Property
Cp,gas	355.84	J/mol×K	838.44	Calculated Property
Cp,gas	370.61	J/mol×K	919.22	Calculated Property
Cp,gas	382.59	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Disulfide, ethyl 2-methylpropyl.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
These property values are available through the Cheméo API. A free account gives you an access key.