Chemical Properties of 2-Cyclopenten-1-one, 2-hydroxy-3,4-dimethyl- (CAS 21835-00-7)

InChI

InChI=1S/C7H10O2/c1-4-3-6(8)7(9)5(4)2/h4,9H,3H2,1-2H3

InChI Key

GXUQPCUHTNAVRJ-UHFFFAOYSA-N

Formula

C7H10O2

SMILES

CC1=C(O)C(=O)CC1C

Molecular Weight¹

126.15

CAS

21835-00-7

Other Names

• 3,4-Dimethyl-2-hydroxycyclopent-2-en-1-one
• 2-Hydroxy-3,4-dimethyl-2-cyclopenten-1-one
• 3,4-Dimethyl-2-hydroxy-2-cyclopentenone
• 2-hydroxy-3,4-dimethylcyclopent-2-en-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°	-204.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-382.42	kJ/mol	Joback Calculated Property
ΔfusH°	11.86	kJ/mol	Joback Calculated Property
ΔvapH°	53.98	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	4021.02	kPa	Joback Calculated Property
Inp	[1063.00; 1075.00]
Inp	1063.00		NIST
Inp	1075.00		NIST
Inp	1075.00		NIST
I	[1789.00; 1868.00]
I	1789.00		NIST
I	1868.00		NIST
I	1839.00		NIST
I	1840.00		NIST
I	1789.00		NIST
Tboil	543.96	K	Joback Calculated Property
Tc	749.04	K	Joback Calculated Property
Tfus	334.39	K	Joback Calculated Property
Vc	0.381	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.68; 296.89]	J/mol×K	[543.96; 749.04]
Cp,gas	238.68	J/mol×K	543.96	Joback Calculated Property
Cp,gas	249.51	J/mol×K	578.14	Joback Calculated Property
Cp,gas	259.90	J/mol×K	612.32	Joback Calculated Property
Cp,gas	269.85	J/mol×K	646.50	Joback Calculated Property
Cp,gas	279.33	J/mol×K	680.68	Joback Calculated Property
Cp,gas	288.35	J/mol×K	714.86	Joback Calculated Property
Cp,gas	296.89	J/mol×K	749.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclopenten-1-one, 2-hydroxy-3,4-dimethyl-.

Sources

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

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