Chemical Properties of 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A

InChI

InChI=1S/C6H10OS/c1-4-3-6(7)5(2)8-4/h4-5H,3H2,1-2H3

InChI Key

NCZOZNJILSPDMQ-UHFFFAOYSA-N

Formula

C6H10OS

SMILES

CC1CC(=O)C(C)S1

Molecular Weight¹

130.21

• 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°	-54.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-219.47	kJ/mol	Joback Calculated Property
ΔfusH°	9.47	kJ/mol	Joback Calculated Property
ΔvapH°	38.96	kJ/mol	Joback Calculated Property
log10WS	-1.62		Crippen Calculated Property
logPoct/wat	1.469		Crippen Calculated Property
McVol	102.460	ml/mol	McGowan Calculated Property
Pc	3819.82	kPa	Joback Calculated Property
Inp	[1016.00; 1016.00]
Inp	1016.00		NIST
Inp	1016.00		NIST
Tboil	462.94	K	Joback Calculated Property
Tc	696.13	K	Joback Calculated Property
Tfus	315.71	K	Joback Calculated Property
Vc	0.364	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[209.01; 283.33]	J/mol×K	[462.94; 696.13]
Cp,gas	209.01	J/mol×K	462.94	Joback Calculated Property
Cp,gas	222.94	J/mol×K	501.81	Joback Calculated Property
Cp,gas	236.26	J/mol×K	540.67	Joback Calculated Property
Cp,gas	248.97	J/mol×K	579.54	Joback Calculated Property
Cp,gas	261.06	J/mol×K	618.40	Joback Calculated Property
Cp,gas	272.52	J/mol×K	657.27	Joback Calculated Property
Cp,gas	283.33	J/mol×K	696.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A.

Sources

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

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