Chemical Properties of 3-(Methylthio)penta-2,4-dione (CAS 32113-68-1)

InChI

InChI=1S/C6H10O2S/c1-4(7)6(9-3)5(2)8/h6H,1-3H3

InChI Key

HTVGCUNUQZCFAN-UHFFFAOYSA-N

Formula

C6H10O2S

SMILES

CSC(C(C)=O)C(C)=O

Molecular Weight¹

146.21

CAS

32113-68-1

• 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 : 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°	-227.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-355.74	kJ/mol	Joback Calculated Property
ΔfusH°	15.10	kJ/mol	Joback Calculated Property
ΔvapH°	48.87	kJ/mol	Joback Calculated Property
log10WS	-0.89		Crippen Calculated Property
logPoct/wat	0.896		Crippen Calculated Property
McVol	114.890	ml/mol	McGowan Calculated Property
Pc	3704.46	kPa	Joback Calculated Property
I	[1703.00; 1703.00]
I	1703.00		NIST
I	1703.00		NIST
Tboil	512.76	K	Joback Calculated Property
Tc	728.38	K	Joback Calculated Property
Tfus	276.64	K	Joback Calculated Property
Vc	0.431	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[237.65; 291.83]	J/mol×K	[512.76; 728.38]
Cp,gas	237.65	J/mol×K	512.76	Joback Calculated Property
Cp,gas	247.99	J/mol×K	548.70	Joback Calculated Property
Cp,gas	257.80	J/mol×K	584.63	Joback Calculated Property
Cp,gas	267.09	J/mol×K	620.57	Joback Calculated Property
Cp,gas	275.85	J/mol×K	656.50	Joback Calculated Property
Cp,gas	284.10	J/mol×K	692.44	Joback Calculated Property
Cp,gas	291.83	J/mol×K	728.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(Methylthio)penta-2,4-dione.

Sources

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

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