Chemical Properties of 2-Hexadecylidene-1,3-dithiolane

InChI

InChI=1S/C19H36S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-17-18-21-19/h16H,2-15,17-18H2,1H3

InChI Key

DTKFBFMAVWGTAQ-UHFFFAOYSA-N

Formula

C19H36S2

SMILES

CCCCCCCCCCCCCCCC=C1SCCS1

Molecular Weight¹

328.62

• 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.
• 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
ΔfusH°	45.47	kJ/mol	Joback Calculated Property
logPoct/wat	7.789		Crippen Calculated Property
McVol	296.110	ml/mol	McGowan Calculated Property
Inp	[2574.00; 2574.00]
Inp	2574.00		NIST
Inp	2574.00		NIST
Tboil	634.14	K	Relay (1.0) Calculated Property
Tfus	315.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[414.44; 994.87]	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			-2.60660e+01
Coefficient B			1.91834e+00
Coefficient C			-1.19850e-03
Coefficient D			3.01100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	414.44	J/mol×K	273.00	Calculated Property
Cp,gas	515.93	J/mol×K	353.78	Calculated Property
Cp,gas	605.94	J/mol×K	434.56	Calculated Property
Cp,gas	685.44	J/mol×K	515.33	Calculated Property
Cp,gas	755.37	J/mol×K	596.11	Calculated Property
Cp,gas	816.69	J/mol×K	676.89	Calculated Property
Cp,gas	870.35	J/mol×K	757.67	Calculated Property
Cp,gas	917.30	J/mol×K	838.44	Calculated Property
Cp,gas	958.49	J/mol×K	919.22	Calculated Property
Cp,gas	994.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexadecylidene-1,3-dithiolane.

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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