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

InChI

InChI=1S/C12H22S2/c1-2-3-4-5-6-7-8-9-12-13-10-11-14-12/h9H,2-8,10-11H2,1H3

InChI Key

QTRGCABSLUYSHT-UHFFFAOYSA-N

Formula

C12H22S2

SMILES

CCCCCCCCC=C1SCCS1

Molecular Weight¹

230.43

• 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°	219.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-43.64	kJ/mol	Joback Calculated Property
ΔfusH°	27.34	kJ/mol	Joback Calculated Property
ΔvapH°	55.28	kJ/mol	Joback Calculated Property
log10WS	-5.35		Crippen Calculated Property
logPoct/wat	5.058		Crippen Calculated Property
McVol	197.480	ml/mol	McGowan Calculated Property
Pc	2183.60	kPa	Joback Calculated Property
Inp	[1823.00; 1823.00]
Inp	1823.00		NIST
Inp	1823.00		NIST
Tboil	596.21	K	Joback Calculated Property
Tc	810.59	K	Joback Calculated Property
Tfus	417.40	K	Joback Calculated Property
Vc	0.725	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[483.04; 574.97]	J/mol×K	[596.21; 810.59]
Cp,gas	483.04	J/mol×K	596.21	Joback Calculated Property
Cp,gas	500.75	J/mol×K	631.94	Joback Calculated Property
Cp,gas	517.42	J/mol×K	667.67	Joback Calculated Property
Cp,gas	533.12	J/mol×K	703.40	Joback Calculated Property
Cp,gas	547.91	J/mol×K	739.13	Joback Calculated Property
Cp,gas	561.83	J/mol×K	774.86	Joback Calculated Property
Cp,gas	574.97	J/mol×K	810.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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