Chemical Properties of 2,5-Dihydro-3,4-dimethylthiophen-2-one (CAS 33922-75-7)

InChI

InChI=1S/C6H8OS/c1-4-3-8-6(7)5(4)2/h3H2,1-2H3

InChI Key

IXXRQTNARJNVHF-UHFFFAOYSA-N

Formula

C6H8OS

SMILES

CC1=C(C)C(=O)SC1

Molecular Weight¹

128.19

CAS

33922-75-7

Other Names

• 2,5-Dihydrothiophen-2-one, 3,4-dimethyl
• 2(5H)-Thiophenone,3,4-dimethyl-

• 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).
• IE : Ionization energy (eV).
• 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°	-28.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-143.95	kJ/mol	Joback Calculated Property
ΔfusH°	7.77	kJ/mol	Joback Calculated Property
ΔvapH°	41.19	kJ/mol	Joback Calculated Property
IE	9.44 ± 0.05	eV	NIST
log10WS	-1.74		Crippen Calculated Property
logPoct/wat	1.596		Crippen Calculated Property
McVol	98.160	ml/mol	McGowan Calculated Property
Pc	4183.90	kPa	Joback Calculated Property
Inp	[1193.00; 1217.00]
Inp	1200.00		NIST
Inp	1193.00		NIST
Inp	1217.00		NIST
Tboil	481.40	K	Joback Calculated Property
Tc	720.36	K	Joback Calculated Property
Tfus	349.99	K	Joback Calculated Property
Vc	0.352	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.02; 249.07]	J/mol×K	[481.40; 720.36]
Cp,gas	191.02	J/mol×K	481.40	Joback Calculated Property
Cp,gas	201.89	J/mol×K	521.23	Joback Calculated Property
Cp,gas	212.30	J/mol×K	561.05	Joback Calculated Property
Cp,gas	222.23	J/mol×K	600.88	Joback Calculated Property
Cp,gas	231.67	J/mol×K	640.71	Joback Calculated Property
Cp,gas	240.62	J/mol×K	680.54	Joback Calculated Property
Cp,gas	249.07	J/mol×K	720.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dihydro-3,4-dimethylthiophen-2-one.

Sources

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

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