Chemical Properties of 2-Hydroxy-5,5-dimethylcyclopent-2-en-1-one (CAS 53263-55-1)

InChI

InChI=1S/C7H10O2/c1-7(2)4-3-5(8)6(7)9/h3,8H,4H2,1-2H3

InChI Key

MEWUNWOAHHUXLF-UHFFFAOYSA-N

Formula

C7H10O2

SMILES

CC1(C)CC=C(O)C1=O

Molecular Weight¹

126.15

CAS

53263-55-1

Other Names

• 2-Hydroxy-5,5-dimethyl-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).
• 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°	-199.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-355.71	kJ/mol	Joback Calculated Property
ΔfusH°	5.95	kJ/mol	Joback Calculated Property
ΔvapH°	52.16	kJ/mol	Joback Calculated Property
log10WS	-1.36		Crippen Calculated Property
logPoct/wat	1.427		Crippen Calculated Property
McVol	101.770	ml/mol	McGowan Calculated Property
Pc	4345.39	kPa	Joback Calculated Property
Inp	[954.00; 954.00]
Inp	954.00		NIST
Inp	954.00		NIST
I	[1621.00; 1621.00]
I	1621.00		NIST
I	1621.00		NIST
Tboil	539.22	K	Joback Calculated Property
Tc	751.51	K	Joback Calculated Property
Tfus	345.77	K	Joback Calculated Property
Vc	0.379	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.61; 295.67]	J/mol×K	[539.22; 751.51]
Cp,gas	238.61	J/mol×K	539.22	Joback Calculated Property
Cp,gas	249.31	J/mol×K	574.60	Joback Calculated Property
Cp,gas	259.44	J/mol×K	609.98	Joback Calculated Property
Cp,gas	269.06	J/mol×K	645.36	Joback Calculated Property
Cp,gas	278.26	J/mol×K	680.74	Joback Calculated Property
Cp,gas	287.10	J/mol×K	716.13	Joback Calculated Property
Cp,gas	295.67	J/mol×K	751.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-5,5-dimethylcyclopent-2-en-1-one.

Sources

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

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