Chemical Properties of 2-Cyclopenten-1-one, 2,3-dimethyl- (CAS 1121-05-7)

InChI

InChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h3-4H2,1-2H3

InChI Key

UZLQSPYGTUMKGS-UHFFFAOYSA-N

Formula

C7H10O

SMILES

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

Molecular Weight¹

110.15

CAS

1121-05-7

Other Names

• 2,3-dimethyl-2-cyclopentenone
• 2,3-Dimethylcyclopent-2-en-1-one
• Cyclopent-2-en-1-one, 2,3-dimethyl
• 2,3-Dimethyl-2-cyclopenten-1-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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°	6.70	kJ/mol	Joback Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
logPoct/wat	1.686		Crippen Calculated Property
McVol	95.900	ml/mol	McGowan Calculated Property
Inp	[999.00; 1052.00]
Inp	1040.00		NIST
Inp	1034.00		NIST
Inp	1052.00		NIST
Inp	1052.00		NIST
Inp	1035.00		NIST
Inp	1043.00		NIST
Inp	999.00		NIST
Inp	999.00		NIST
Inp	1043.00		NIST
Inp	1001.00		NIST
Inp	1052.00		NIST
Ip	[1501.00; 1582.00]
Ip	1521.00		NIST
Ip	1521.00		NIST
Ip	1524.00		NIST
Ip	1535.00		NIST
Ip	1501.00		NIST
Ip	1524.00		NIST
Ip	1550.00		NIST
Ip	1573.00		NIST
Ip	1550.00		NIST
Ip	Outlier 1582.00		NIST
Ip	Outlier 1582.00		NIST
Ip	1535.00		NIST
Ip	1541.00		NIST
Ip	1530.00		NIST
Ip	1535.00		NIST
Ip	1523.00		NIST
Ip	1531.00		NIST
Ip	1524.00		NIST
Ip	1550.00		NIST
Ip	1535.00		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, 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	[123.48; 318.85]	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			2.91000e+00
Coefficient B			4.83740e-01
Coefficient C			-1.49000e-04
Coefficient D			-1.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.48	J/mol×K	273.00	Calculated Property
Cp,gas	154.57	J/mol×K	353.78	Calculated Property
Cp,gas	183.44	J/mol×K	434.56	Calculated Property
Cp,gas	210.05	J/mol×K	515.33	Calculated Property
Cp,gas	234.34	J/mol×K	596.11	Calculated Property
Cp,gas	256.25	J/mol×K	676.89	Calculated Property
Cp,gas	275.71	J/mol×K	757.67	Calculated Property
Cp,gas	292.67	J/mol×K	838.44	Calculated Property
Cp,gas	307.07	J/mol×K	919.22	Calculated Property
Cp,gas	318.85	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclopenten-1-one, 2,3-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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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