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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	278.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-188.12	kJ/mol	Joback Calculated Property
ΔfusH°	45.47	kJ/mol	Joback Calculated Property
ΔvapH°	70.86	kJ/mol	Joback Calculated Property
log10WS	-8.28		Crippen Calculated Property
logPoct/wat	7.789		Crippen Calculated Property
McVol	296.110	ml/mol	McGowan Calculated Property
Pc	1264.65	kPa	Joback Calculated Property
Inp	[2574.00; 2574.00]
Inp	2574.00		NIST
Inp	2574.00		NIST
Tboil	756.37	K	Joback Calculated Property
Tc	953.26	K	Joback Calculated Property
Tfus	496.29	K	Joback Calculated Property
Vc	1.117	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[869.54; 974.35]	J/mol×K	[756.37; 953.26]
Cp,gas	869.54	J/mol×K	756.37	Joback Calculated Property
Cp,gas	889.41	J/mol×K	789.18	Joback Calculated Property
Cp,gas	908.24	J/mol×K	822.00	Joback Calculated Property
Cp,gas	926.08	J/mol×K	854.81	Joback Calculated Property
Cp,gas	943.00	J/mol×K	887.63	Joback Calculated Property
Cp,gas	959.07	J/mol×K	920.44	Joback Calculated Property
Cp,gas	974.35	J/mol×K	953.26	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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