Chemical Properties of 4,7-dithia-1-octene

InChI

InChI=1S/C6H12S2/c1-3-4-8-6-5-7-2/h3H,1,4-6H2,2H3

InChI Key

KYQJVWSAHLHJPF-UHFFFAOYSA-N

Formula

C6H12S2

SMILES

C=CCSCCSC

Molecular Weight¹

148.29

• 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°	153.72	kJ/mol	Joback Calculated Property
ΔfH°gas	42.00	kJ/mol	Joback Calculated Property
ΔfusH°	18.28	kJ/mol	Joback Calculated Property
ΔvapH°	41.91	kJ/mol	Joback Calculated Property
log10WS	-1.96		Crippen Calculated Property
logPoct/wat	2.269		Crippen Calculated Property
McVol	123.800	ml/mol	McGowan Calculated Property
Pc	3388.08	kPa	Joback Calculated Property
Inp	[1179.00; 1179.00]
Inp	1179.00		NIST
Inp	1179.00		NIST
Tboil	470.92	K	Joback Calculated Property
Tc	687.95	K	Joback Calculated Property
Tfus	224.42	K	Joback Calculated Property
Vc	0.461	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[237.15; 298.22]	J/mol×K	[470.92; 687.95]
Cp,gas	237.15	J/mol×K	470.92	Joback Calculated Property
Cp,gas	248.69	J/mol×K	507.09	Joback Calculated Property
Cp,gas	259.67	J/mol×K	543.26	Joback Calculated Property
Cp,gas	270.11	J/mol×K	579.43	Joback Calculated Property
Cp,gas	280.01	J/mol×K	615.61	Joback Calculated Property
Cp,gas	289.38	J/mol×K	651.78	Joback Calculated Property
Cp,gas	298.22	J/mol×K	687.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,7-dithia-1-octene.

Sources

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

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