Chemical Properties of Diacetyl sulphide (CAS 3232-39-1)

InChI

InChI=1S/C4H6O2S/c1-3(5)7-4(2)6/h1-2H3

InChI Key

DPCQJLQPDJPRCM-UHFFFAOYSA-N

Formula

C4H6O2S

SMILES

CC(=O)SC(C)=O

Molecular Weight¹

118.15

CAS

3232-39-1

Other Names

• 1,1'-Thiobis-(ethane-1-one)
• (CH3CO)2S
• Acetyl sulfide
• Ethanethioic acid, anhydrosulfide
• acetic thioanhydride

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.86; 196.77]	J/mol×K	[467.44; 684.84]
Cp,gas	157.86	J/mol×K	467.44	Joback Calculated Property
Cp,gas	165.20	J/mol×K	503.67	Joback Calculated Property
Cp,gas	172.21	J/mol×K	539.91	Joback Calculated Property
Cp,gas	178.87	J/mol×K	576.14	Joback Calculated Property
Cp,gas	185.19	J/mol×K	612.37	Joback Calculated Property
Cp,gas	191.15	J/mol×K	648.60	Joback Calculated Property
Cp,gas	196.77	J/mol×K	684.84	Joback Calculated Property
ΔvapH	[50.90; 54.20]	kJ/mol	[340.00; 340.00]
ΔvapH	54.20	kJ/mol	340.00	NIST
ΔvapH	50.90	kJ/mol	340.00	NIST

Similar Compounds

Find more compounds similar to Diacetyl sulphide.

Sources

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

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