Chemical Properties of (Z)-1-Methyl-3-(prop-1-en-1-yl)trisulfane (CAS 23838-24-6)

InChI

InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3-4H,1-2H3/b4-3-

InChI Key

WPRUFZZPIFLBDG-ARJAWSKDSA-N

Formula

C4H8S3

SMILES

C/C=C\SSSC

Molecular Weight¹

152.31

CAS

23838-24-6

Other Names

• methyl cis-1-propenyl trisulfide
• Trisulfide, Methyl-1-propenyl, (Z)-
• Methyl 1-propenyl trisulphide, cis
• Trisulfide, methyl-(Z)-1-propenyl
• Methyl 1-propenyl trisulfide, (Z)-

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.71	kJ/mol	Joback Calculated Property
logPoct/wat	3.179		Crippen Calculated Property
McVol	111.970	ml/mol	McGowan Calculated Property
Inp	[1126.60; 1163.70]
Inp	1148.00		NIST
Inp	1139.00		NIST
Inp	1126.60		NIST
Inp	1136.00		NIST
Inp	1138.00		NIST
Inp	1132.00		NIST
Inp	1142.00		NIST
Inp	Outlier 1163.70		NIST
Inp	1142.00		NIST
Inp	1139.00		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	[137.84; 274.88]	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			4.38700e+01
Coefficient B			3.87010e-01
Coefficient C			-1.57000e-04
Coefficient D			1.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.84	J/mol×K	273.00	Calculated Property
Cp,gas	161.18	J/mol×K	353.78	Calculated Property
Cp,gas	182.48	J/mol×K	434.56	Calculated Property
Cp,gas	201.75	J/mol×K	515.33	Calculated Property
Cp,gas	218.99	J/mol×K	596.11	Calculated Property
Cp,gas	234.21	J/mol×K	676.89	Calculated Property
Cp,gas	247.40	J/mol×K	757.67	Calculated Property
Cp,gas	258.58	J/mol×K	838.44	Calculated Property
Cp,gas	267.73	J/mol×K	919.22	Calculated Property
Cp,gas	274.88	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-1-Methyl-3-(prop-1-en-1-yl)trisulfane.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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