Chemical Properties of 2-Hydroxy-4-methyl-2-cyclopenten-1-one (CAS 15899-72-6)

InChI

InChI=1S/C6H8O2/c1-4-2-5(7)6(8)3-4/h2,4,7H,3H2,1H3

InChI Key

SFSXQNIOJABGSJ-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

CC1C=C(O)C(=O)C1

Molecular Weight¹

112.13

CAS

15899-72-6

Other Names

• 2-Cyclopenten-1-one, 2-hydroxy-4-methyl

• 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.
• 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°	-202.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.31	kJ/mol	Joback Calculated Property
ΔfusH°	9.66	kJ/mol	Joback Calculated Property
ΔvapH°	51.09	kJ/mol	Joback Calculated Property
log10WS	-0.94		Crippen Calculated Property
logPoct/wat	1.037		Crippen Calculated Property
McVol	87.680	ml/mol	McGowan Calculated Property
Pc	4652.99	kPa	Joback Calculated Property
Inp	[948.00; 948.00]
Inp	948.00		NIST
Inp	948.00		NIST
I	[1688.00; 1688.00]
I	1688.00		NIST
I	1688.00		NIST
Tboil	516.10	K	Joback Calculated Property
Tc	723.20	K	Joback Calculated Property
Tfus	310.60	K	Joback Calculated Property
Vc	0.325	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[196.23; 249.71]	J/mol×K	[516.10; 723.20]
Cp,gas	196.23	J/mol×K	516.10	Joback Calculated Property
Cp,gas	206.21	J/mol×K	550.62	Joback Calculated Property
Cp,gas	215.78	J/mol×K	585.13	Joback Calculated Property
Cp,gas	224.91	J/mol×K	619.65	Joback Calculated Property
Cp,gas	233.62	J/mol×K	654.16	Joback Calculated Property
Cp,gas	241.89	J/mol×K	688.68	Joback Calculated Property
Cp,gas	249.71	J/mol×K	723.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-4-methyl-2-cyclopenten-1-one.

Sources

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

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