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

InChI

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

InChI Key

OEBJHVCWENCTLE-UHFFFAOYSA-N

Formula

C5H8OS2

SMILES

CC(=O)C1CCSS1

Molecular Weight¹

148.25

Other Names

• 1,2-Dithiolane, 3-acetyl

• 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°	-21.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-108.11	kJ/mol	Joback Calculated Property
ΔfusH°	11.55	kJ/mol	Joback Calculated Property
ΔvapH°	45.35	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	4646.65	kPa	Joback Calculated Property
Inp	[1199.00; 1216.00]
Inp	1208.00		NIST
Inp	1201.00		NIST
Inp	1199.00		NIST
Inp	1216.00		NIST
Inp	1216.00		NIST
Inp	1208.00		NIST
I	[1994.00; 1994.00]
I	1994.00		NIST
I	1994.00		NIST
Tboil	478.61	K	Joback Calculated Property
Tc	723.79	K	Joback Calculated Property
Tfus	373.84	K	Joback Calculated Property
Vc	0.354	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.70; 261.32]	J/mol×K	[478.61; 723.79]
Cp,gas	201.70	J/mol×K	478.61	Joback Calculated Property
Cp,gas	213.54	J/mol×K	519.47	Joback Calculated Property
Cp,gas	224.57	J/mol×K	560.34	Joback Calculated Property
Cp,gas	234.82	J/mol×K	601.20	Joback Calculated Property
Cp,gas	244.34	J/mol×K	642.06	Joback Calculated Property
Cp,gas	253.15	J/mol×K	682.93	Joback Calculated Property
Cp,gas	261.32	J/mol×K	723.79	Joback Calculated Property

Similar Compounds

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

Sources

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

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