Chemical Properties of Methyl 1-(methylthio)ethyl disulphide

InChI

InChI=1S/C4H10S3/c1-4(5-2)7-6-3/h4H,1-3H3

InChI Key

BILDZELNIVRXQA-UHFFFAOYSA-N

Formula

C4H10S3

SMILES

CSSC(C)SC

Molecular Weight¹

154.33

Other Names

• 1-(Methylthioethyl) methyl disulfide
• 4-methyl-2,3,5-trithiahexane

• ω : Acentric Factor.
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-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	0.2678		Relay (1.0) Calculated Property
ΔfH°gas	-37.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.98	kJ/mol	Joback Calculated Property
ΔvapH°	55.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
logPoct/wat	2.707		Crippen Calculated Property
McVol	116.270	ml/mol	McGowan Calculated Property
Pc	4200.18	kPa	Joback Calculated Property
Inp	[1131.00; 1145.00]
Inp	1145.00		NIST
Inp	1145.00		NIST
Inp	1144.00		NIST
Inp	Outlier 1131.00		NIST
Inp	1145.00		NIST
Inp	1144.00		NIST
Tboil	479.69	K	Relay (1.0) Calculated Property
Tc	700.75	K	Relay (1.0) Calculated Property
Tfus	217.77	K	Relay (1.0) Calculated Property
Vc	0.396	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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	[151.53; 306.00]	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			5.63700e+01
Coefficient B			3.72930e-01
Coefficient C			-7.64000e-05
Coefficient D			-4.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.53	J/mol×K	273.00	Calculated Property
Cp,gas	176.67	J/mol×K	353.78	Calculated Property
Cp,gas	200.15	J/mol×K	434.56	Calculated Property
Cp,gas	221.85	J/mol×K	515.33	Calculated Property
Cp,gas	241.59	J/mol×K	596.11	Calculated Property
Cp,gas	259.25	J/mol×K	676.89	Calculated Property
Cp,gas	274.67	J/mol×K	757.67	Calculated Property
Cp,gas	287.70	J/mol×K	838.44	Calculated Property
Cp,gas	298.19	J/mol×K	919.22	Calculated Property
Cp,gas	306.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 1-(methylthio)ethyl disulphide.

Sources

• Cheméo Relay (1.0)
• 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.
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