Chemical Properties of Allyl 1-(methylthio)ethyl disulphide

InChI

InChI=1S/C6H12S3/c1-4-5-8-9-6(2)7-3/h4,6H,1,5H2,2-3H3

InChI Key

JLUAARRGSDKZGD-UHFFFAOYSA-N

Formula

C6H12S3

SMILES

C=CCSSC(C)SC

Molecular Weight¹

180.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.88	kJ/mol	Joback Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
logPoct/wat	3.263		Crippen Calculated Property
McVol	140.150	ml/mol	McGowan Calculated Property
Inp	[1293.00; 1293.00]
Inp	1293.00		NIST
Inp	1293.00		NIST
Tboil	503.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[184.15; 380.67]	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			5.15610e+01
Coefficient B			5.42910e-01
Coefficient C			-2.08100e-04
Coefficient D			-5.70000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.15	J/mol×K	273.00	Calculated Property
Cp,gas	217.33	J/mol×K	353.78	Calculated Property
Cp,gas	247.72	J/mol×K	434.56	Calculated Property
Cp,gas	275.30	J/mol×K	515.33	Calculated Property
Cp,gas	300.04	J/mol×K	596.11	Calculated Property
Cp,gas	321.94	J/mol×K	676.89	Calculated Property
Cp,gas	340.96	J/mol×K	757.67	Calculated Property
Cp,gas	357.11	J/mol×K	838.44	Calculated Property
Cp,gas	370.35	J/mol×K	919.22	Calculated Property
Cp,gas	380.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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.
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