Chemical Properties of 2-ethyl-1,3-dithiacyclohex-4-ene

InChI

InChI=1S/C6H10S2/c1-2-6-7-4-3-5-8-6/h3-4,6H,2,5H2,1H3

InChI Key

OPUQHLSMBCHWTE-UHFFFAOYSA-N

Formula

C6H10S2

SMILES

CCC1SC=CCS1

Molecular Weight¹

146.27

• 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.
• I : 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°	133.77	kJ/mol	Joback Calculated Property
ΔfH°gas	35.45	kJ/mol	Joback Calculated Property
ΔfusH°	11.67	kJ/mol	Joback Calculated Property
ΔvapH°	41.30	kJ/mol	Joback Calculated Property
log10WS	-2.95		Crippen Calculated Property
logPoct/wat	2.716		Crippen Calculated Property
McVol	112.940	ml/mol	McGowan Calculated Property
Pc	4082.92	kPa	Joback Calculated Property
Inp	[1195.00; 1195.00]
Inp	1195.00		NIST
Inp	1195.00		NIST
I	[1730.00; 1730.00]
I	1730.00		NIST
I	1730.00		NIST
Tboil	451.05	K	Joback Calculated Property
Tc	692.78	K	Joback Calculated Property
Tfus	332.42	K	Joback Calculated Property
Vc	0.383	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.23; 281.04]	J/mol×K	[451.05; 692.78]
Cp,gas	210.23	J/mol×K	451.05	Joback Calculated Property
Cp,gas	224.13	J/mol×K	491.34	Joback Calculated Property
Cp,gas	237.14	J/mol×K	531.63	Joback Calculated Property
Cp,gas	249.31	J/mol×K	571.91	Joback Calculated Property
Cp,gas	260.65	J/mol×K	612.20	Joback Calculated Property
Cp,gas	271.22	J/mol×K	652.49	Joback Calculated Property
Cp,gas	281.04	J/mol×K	692.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-ethyl-1,3-dithiacyclohex-4-ene.

Sources

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

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