Chemical Properties of Trisulfide, di-2-propenyl

InChI

InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2

InChI Key

UBAXRAHSPKWNCX-UHFFFAOYSA-N

Formula

C6H10S3

SMILES

C=CCSSSCC=C

Molecular Weight¹

178.35

Other Names

• Allyl trisulfide
• Diallyl trisulfide
• diallyl trisulphide

• 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).
• I_np : Non-polar retention indices.
• I : 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
ΔfH°gas	122.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.13	kJ/mol	Joback Calculated Property
ΔvapH°	65.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
logPoct/wat	3.388		Crippen Calculated Property
McVol	135.850	ml/mol	McGowan Calculated Property
Inp	[1266.00; 1322.00]
Inp	1289.00		NIST
Inp	1282.00		NIST
Inp	1296.00		NIST
Inp	1289.00		NIST
Inp	1283.00		NIST
Inp	1320.00		NIST
Inp	1275.00		NIST
Inp	1276.00		NIST
Inp	1304.00		NIST
Inp	1280.00		NIST
Inp	1266.00		NIST
Inp	1277.00		NIST
Inp	1300.00		NIST
Inp	1297.00		NIST
Inp	1292.00		NIST
Inp	1322.00		NIST
Inp	1270.00		NIST
Inp	1312.00		NIST
Inp	1279.00		NIST
Inp	1296.00		NIST
Inp	1322.00		NIST
Inp	1296.00		NIST
Inp	1266.00		NIST
I	[1775.00; 1822.00]
I	1819.00		NIST
I	1805.00		NIST
I	1789.00		NIST
I	1775.00		NIST
I	1784.00		NIST
I	1784.00		NIST
I	1806.00		NIST
I	1806.00		NIST
I	1806.00		NIST
I	1787.00		NIST
I	1822.00		NIST
Tboil	512.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[174.66; 351.62]	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			5.02520e+01
Coefficient B			5.16970e-01
Coefficient C			-2.27800e-04
Coefficient D			1.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.66	J/mol×K	273.00	Calculated Property
Cp,gas	205.17	J/mol×K	353.78	Calculated Property
Cp,gas	232.89	J/mol×K	434.56	Calculated Property
Cp,gas	257.84	J/mol×K	515.33	Calculated Property
Cp,gas	280.06	J/mol×K	596.11	Calculated Property
Cp,gas	299.59	J/mol×K	676.89	Calculated Property
Cp,gas	316.48	J/mol×K	757.67	Calculated Property
Cp,gas	330.75	J/mol×K	838.44	Calculated Property
Cp,gas	342.45	J/mol×K	919.22	Calculated Property
Cp,gas	351.62	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Trisulfide, di-2-propenyl.

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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