Chemical Properties of (E)-Methyl-1-propenyl disulfide (CAS 23838-19-9)

InChI

InChI=1S/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3/b4-3+

InChI Key

FUDUFCLRGSEHAJ-ONEGZZNKSA-N

Formula

C4H8S2

SMILES

C/C=C/SSC

Molecular Weight¹

120.24

CAS

23838-19-9

Other Names

• Methyl 1-propenyl disulfide (E)
• Disulfide, methyl 1-propenyl, trans
• (E)-1-propenyl methyl disulfide
• (E)-propenyl methyl disulfide
• (E)-propenyl methyl disulphide
• Disulfide, methyl 1-propenyl, E
• Methyl 1-propenyl disulphide, trans
• methyl (E)-propenyl disulfide
• trans-1-propenyl methyl disulfide
• Methyl trans-1-propenyl disulfide
• Methyl trans-propenyl disulfide

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.58	kJ/mol	Joback Calculated Property
logPoct/wat	2.531		Crippen Calculated Property
McVol	95.620	ml/mol	McGowan Calculated Property
Inp	[915.50; 1110.00]
Inp	930.00		NIST
Inp	937.00		NIST
Inp	915.50		NIST
Inp	918.00		NIST
Inp	922.00		NIST
Inp	919.00		NIST
Inp	922.00		NIST
Inp	946.00		NIST
Inp	Outlier 1110.00		NIST
Inp	Outlier 1104.00		NIST
Inp	940.10		NIST
Inp	940.10		NIST
Inp	915.50		NIST
Inp	930.00		NIST
Ip	[1270.00; 1332.00]
Ip	1292.00		NIST
Ip	1287.00		NIST
Ip	1290.00		NIST
Ip	1289.00		NIST
Ip	1270.00		NIST
Ip	1270.00		NIST
Ip	1297.00		NIST
Ip	1297.00		NIST
Ip	1285.00		NIST
Ip	1332.00		NIST
Ip	1322.00		NIST
Ip	1332.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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	[117.34; 248.29]	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			2.42700e+01
Coefficient B			3.92620e-01
Coefficient C			-1.97200e-04
Coefficient D			2.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	117.34	J/mol×K	273.00	Calculated Property
Cp,gas	139.76	J/mol×K	353.78	Calculated Property
Cp,gas	159.99	J/mol×K	434.56	Calculated Property
Cp,gas	178.14	J/mol×K	515.33	Calculated Property
Cp,gas	194.30	J/mol×K	596.11	Calculated Property
Cp,gas	208.55	J/mol×K	676.89	Calculated Property
Cp,gas	220.98	J/mol×K	757.67	Calculated Property
Cp,gas	231.69	J/mol×K	838.44	Calculated Property
Cp,gas	240.76	J/mol×K	919.22	Calculated Property
Cp,gas	248.29	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (E)-Methyl-1-propenyl disulfide.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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