Chemical Properties of Propyl 2-propenyl trisulfide (CAS 33922-73-5)

InChI

InChI=1S/C6H12S3/c1-3-5-7-9-8-6-4-2/h3H,1,4-6H2,2H3

InChI Key

IXJMGVJLUBBAQW-UHFFFAOYSA-N

Formula

C6H12S3

SMILES

C=CCSSSCCC

Molecular Weight¹

180.35

CAS

33922-73-5

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	34.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.41	kJ/mol	Joback Calculated Property
ΔvapH°	63.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
logPoct/wat	3.612		Crippen Calculated Property
McVol	140.150	ml/mol	McGowan Calculated Property
Inp	[1270.00; 1320.60]
Inp	1290.00		NIST
Inp	1320.60		NIST
Inp	1297.00		NIST
Inp	1297.00		NIST
Inp	1290.00		NIST
Inp	1320.60		NIST
Inp	1307.00		NIST
Inp	1270.00		NIST
Inp	1290.00		NIST
Inp	1307.00		NIST
I	[1723.00; 1797.00]
I	1797.00		NIST
I	1797.00		NIST
I	1723.00		NIST
Tboil	515.31	K	Relay (1.0) Calculated Property
Tfus	217.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[184.46; 380.13]	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			5.32430e+01
Coefficient B			5.36990e-01
Coefficient C			-2.04900e-04
Coefficient D			-5.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.46	J/mol×K	273.00	Calculated Property
Cp,gas	217.34	J/mol×K	353.78	Calculated Property
Cp,gas	247.48	J/mol×K	434.56	Calculated Property
Cp,gas	274.85	J/mol×K	515.33	Calculated Property
Cp,gas	299.44	J/mol×K	596.11	Calculated Property
Cp,gas	321.23	J/mol×K	676.89	Calculated Property
Cp,gas	340.22	J/mol×K	757.67	Calculated Property
Cp,gas	356.37	J/mol×K	838.44	Calculated Property
Cp,gas	369.68	J/mol×K	919.22	Calculated Property
Cp,gas	380.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propyl 2-propenyl trisulfide.

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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