Chemical Properties of 4-Ethyl-2-hydroxycyclopent-2-en-1-one (CAS 28017-62-1)

InChI

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

InChI Key

CVBNEZQOINGLSS-UHFFFAOYSA-N

Formula

C7H10O2

SMILES

CCC1C=C(O)C(=O)C1

Molecular Weight¹

126.15

CAS

28017-62-1

Other Names

• 4-Ethyl-2-hydroxy-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 : 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°	-194.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-370.95	kJ/mol	Joback Calculated Property
ΔfusH°	12.25	kJ/mol	Joback Calculated Property
ΔvapH°	53.31	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	4098.62	kPa	Joback Calculated Property
I	[1629.00; 1629.00]
I	1629.00		NIST
I	1629.00		NIST
Tboil	538.98	K	Joback Calculated Property
Tc	742.99	K	Joback Calculated Property
Tfus	321.87	K	Joback Calculated Property
Vc	0.381	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.25; 298.51]	J/mol×K	[538.98; 742.99]
Cp,gas	239.25	J/mol×K	538.98	Joback Calculated Property
Cp,gas	250.36	J/mol×K	572.98	Joback Calculated Property
Cp,gas	260.98	J/mol×K	606.98	Joback Calculated Property
Cp,gas	271.11	J/mol×K	640.98	Joback Calculated Property
Cp,gas	280.75	J/mol×K	674.99	Joback Calculated Property
Cp,gas	289.88	J/mol×K	708.99	Joback Calculated Property
Cp,gas	298.51	J/mol×K	742.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Ethyl-2-hydroxycyclopent-2-en-1-one.

Sources

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

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