Chemical Properties of 2-Cyclopenten-1-one,3-hydroxy-2-methyl- (CAS 5870-63-3)

InChI

InChI=1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h7H,2-3H2,1H3

InChI Key

MAIUFLILEAIYBX-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

CC1=C(O)CCC1=O

Molecular Weight¹

112.13

CAS

5870-63-3

Other Names

• 3-Hydroxy-2-methyl-cyclopent-2-enone
• 3-Hydroxy-2-methyl-2-cyclopenten-1-one

• 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°	-204.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-341.44	kJ/mol	Joback Calculated Property
ΔfusH°	8.20	kJ/mol	Joback Calculated Property
ΔvapH°	52.06	kJ/mol	Joback Calculated Property
IE	8.84 ± 0.05	eV	NIST
log10WS	-1.18		Crippen Calculated Property
logPoct/wat	1.181		Crippen Calculated Property
McVol	87.680	ml/mol	McGowan Calculated Property
Pc	4769.39	kPa	Joback Calculated Property
Inp	[1025.00; 1025.00]
Inp	1025.00		NIST
Inp	1025.00		NIST
Tboil	525.75	K	Joback Calculated Property
Tc	734.16	K	Joback Calculated Property
Tfus	327.36	K	Joback Calculated Property
Vc	0.326	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.77; 243.81]	J/mol×K	[525.75; 734.16]
Cp,gas	193.77	J/mol×K	525.75	Joback Calculated Property
Cp,gas	203.09	J/mol×K	560.48	Joback Calculated Property
Cp,gas	212.03	J/mol×K	595.22	Joback Calculated Property
Cp,gas	220.57	J/mol×K	629.95	Joback Calculated Property
Cp,gas	228.72	J/mol×K	664.69	Joback Calculated Property
Cp,gas	236.47	J/mol×K	699.42	Joback Calculated Property
Cp,gas	243.81	J/mol×K	734.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclopenten-1-one,3-hydroxy-2-methyl-.

Sources

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

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