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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.86	kJ/mol	Joback Calculated Property
logPoct/wat	1.427		Crippen Calculated Property
McVol	101.770	ml/mol	McGowan Calculated Property
Inp	[1063.00; 1075.00]
Inp	1063.00		NIST
Inp	1075.00		NIST
Inp	1075.00		NIST
Ip	[1789.00; 1868.00]
Ip	1789.00		NIST
Ip	1868.00		NIST
Ip	1839.00		NIST
Ip	1840.00		NIST
Ip	1840.00		NIST
Ip	1789.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.25; 344.18]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.41400e+01
Coefficient B			4.91240e-01
Coefficient C			-1.24000e-04
Coefficient D			-3.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.25	J/mol×K	273.00	Calculated Property
Cp,gas	170.76	J/mol×K	353.78	Calculated Property
Cp,gas	201.14	J/mol×K	434.56	Calculated Property
Cp,gas	229.27	J/mol×K	515.33	Calculated Property
Cp,gas	255.03	J/mol×K	596.11	Calculated Property
Cp,gas	278.30	J/mol×K	676.89	Calculated Property
Cp,gas	298.97	J/mol×K	757.67	Calculated Property
Cp,gas	316.92	J/mol×K	838.44	Calculated Property
Cp,gas	332.03	J/mol×K	919.22	Calculated Property
Cp,gas	344.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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