Chemical Properties of 3-methyl-2-oxo-2,5-dihydro-thiophene

InChI

InChI=1S/C5H6OS/c1-4-2-3-7-5(4)6/h2H,3H2,1H3

InChI Key

XZLYVPCODCYIHS-UHFFFAOYSA-N

Formula

C5H6OS

SMILES

CC1=CCSC1=O

Molecular Weight¹

114.17

• 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°	-26.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-111.84	kJ/mol	Joback Calculated Property
ΔfusH°	5.57	kJ/mol	Joback Calculated Property
ΔvapH°	38.30	kJ/mol	Joback Calculated Property
log10WS	-1.32		Crippen Calculated Property
logPoct/wat	1.206		Crippen Calculated Property
McVol	84.070	ml/mol	McGowan Calculated Property
Pc	4856.20	kPa	Joback Calculated Property
Inp	[1004.00; 1004.00]
Inp	1004.00		NIST
Inp	1004.00		NIST
Tboil	453.54	K	Joback Calculated Property
Tc	695.30	K	Joback Calculated Property
Tfus	326.20	K	Joback Calculated Property
Vc	0.296	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.25; 203.99]	J/mol×K	[453.54; 695.30]
Cp,gas	152.25	J/mol×K	453.54	Joback Calculated Property
Cp,gas	162.01	J/mol×K	493.83	Joback Calculated Property
Cp,gas	171.33	J/mol×K	534.13	Joback Calculated Property
Cp,gas	180.18	J/mol×K	574.42	Joback Calculated Property
Cp,gas	188.58	J/mol×K	614.71	Joback Calculated Property
Cp,gas	196.52	J/mol×K	655.01	Joback Calculated Property
Cp,gas	203.99	J/mol×K	695.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-methyl-2-oxo-2,5-dihydro-thiophene.

Sources

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

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