Chemical Properties of dipropyl tetrasulfide (CAS 52687-98-6)

InChI

InChI=1S/C6H14S4/c1-3-5-7-9-10-8-6-4-2/h3-6H2,1-2H3

InChI Key

GJKGKILUTIBVOI-UHFFFAOYSA-N

Formula

C6H14S4

SMILES

CCCSSSSCCC

Molecular Weight¹

214.44

CAS

52687-98-6

Other Names

• Tetrasulfide, dipropyl
• Di-n-propyl tetrasulfide
• Dipropyl tetrasulphide

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_c : Critical 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	-54.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.82	kJ/mol	Joback Calculated Property
ΔvapH°	68.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-4.13		Relay (1.0) Calculated Property
logPoct/wat	4.484		Crippen Calculated Property
McVol	160.800	ml/mol	McGowan Calculated Property
Inp	[1520.40; 1573.00]
Inp	1526.00		NIST
Inp	1558.00		NIST
Inp	1520.40		NIST
Inp	1544.00		NIST
Inp	1558.00		NIST
Inp	1536.00		NIST
Inp	1570.00		NIST
Inp	1569.00		NIST
Inp	1573.00		NIST
Inp	1533.00		NIST
Inp	1558.00		NIST
Inp	1569.00		NIST
Inp	1533.00		NIST
Tboil	553.47	K	Relay (1.0) Calculated Property
Tc	769.25	K	Relay (1.0) Calculated Property
Tfus	232.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[214.78; 435.23]	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			7.58340e+01
Coefficient B			5.51400e-01
Coefficient C			-1.41800e-04
Coefficient D			-5.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.78	J/mol×K	273.00	Calculated Property
Cp,gas	250.94	J/mol×K	353.78	Calculated Property
Cp,gas	284.55	J/mol×K	434.56	Calculated Property
Cp,gas	315.46	J/mol×K	515.33	Calculated Property
Cp,gas	343.51	J/mol×K	596.11	Calculated Property
Cp,gas	368.53	J/mol×K	676.89	Calculated Property
Cp,gas	390.38	J/mol×K	757.67	Calculated Property
Cp,gas	408.88	J/mol×K	838.44	Calculated Property
Cp,gas	423.89	J/mol×K	919.22	Calculated Property
Cp,gas	435.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to dipropyl tetrasulfide.

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