Chemical Properties of 3-ethyl-1,2-dithiolan-4-one

InChI

InChI=1S/C5H8OS2/c1-2-5-4(6)3-7-8-5/h5H,2-3H2,1H3

InChI Key

TUMVOBRANVUYMK-UHFFFAOYSA-N

Formula

C5H8OS2

SMILES

CCC1SSCC1=O

Molecular Weight¹

148.25

Other Names

• 1,2-Dithiolan-4-one, 3-ethyl

• 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°	-15.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-133.23	kJ/mol	Joback Calculated Property
ΔfusH°	9.46	kJ/mol	Joback Calculated Property
ΔvapH°	42.85	kJ/mol	Joback Calculated Property
log10WS	-1.96		Crippen Calculated Property
logPoct/wat	1.729		Crippen Calculated Property
McVol	104.720	ml/mol	McGowan Calculated Property
Pc	4474.22	kPa	Joback Calculated Property
Inp	[1163.00; 1169.00]
Inp	1169.00		NIST
Inp	1167.00		NIST
Inp	1163.00		NIST
Tboil	492.56	K	Joback Calculated Property
Tc	745.51	K	Joback Calculated Property
Tfus	392.13	K	Joback Calculated Property
Vc	0.355	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.04; 272.02]	J/mol×K	[492.56; 745.51]
Cp,gas	208.04	J/mol×K	492.56	Joback Calculated Property
Cp,gas	220.32	J/mol×K	534.72	Joback Calculated Property
Cp,gas	231.96	J/mol×K	576.88	Joback Calculated Property
Cp,gas	242.96	J/mol×K	619.03	Joback Calculated Property
Cp,gas	253.30	J/mol×K	661.19	Joback Calculated Property
Cp,gas	262.99	J/mol×K	703.35	Joback Calculated Property
Cp,gas	272.02	J/mol×K	745.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-ethyl-1,2-dithiolan-4-one.

Sources

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

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