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

InChI

InChI=1S/C20H38S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h17H,2-16,18-19H2,1H3

InChI Key

GWQMQVPESVIDPM-UHFFFAOYSA-N

Formula

C20H38S2

SMILES

CCCCCCCCCCCCCCCCC=C1SCCS1

Molecular Weight¹

342.65

• 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°	286.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-208.76	kJ/mol	Joback Calculated Property
ΔfusH°	48.06	kJ/mol	Joback Calculated Property
ΔvapH°	73.09	kJ/mol	Joback Calculated Property
log10WS	-8.70		Crippen Calculated Property
logPoct/wat	8.179		Crippen Calculated Property
McVol	310.200	ml/mol	McGowan Calculated Property
Pc	1182.53	kPa	Joback Calculated Property
Inp	[2687.00; 2687.00]
Inp	2687.00		NIST
Inp	2687.00		NIST
Tboil	779.25	K	Joback Calculated Property
Tc	975.43	K	Joback Calculated Property
Tfus	507.56	K	Joback Calculated Property
Vc	1.173	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[929.23; 1035.30]	J/mol×K	[779.25; 975.43]
Cp,gas	929.23	J/mol×K	779.25	Joback Calculated Property
Cp,gas	949.31	J/mol×K	811.95	Joback Calculated Property
Cp,gas	968.34	J/mol×K	844.64	Joback Calculated Property
Cp,gas	986.39	J/mol×K	877.34	Joback Calculated Property
Cp,gas	1003.52	J/mol×K	910.04	Joback Calculated Property
Cp,gas	1019.81	J/mol×K	942.73	Joback Calculated Property
Cp,gas	1035.30	J/mol×K	975.43	Joback Calculated Property

Similar Compounds

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

Sources

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

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