Chemical Properties of Cyclopentanone, 3,4-bis(methylene)- (CAS 27646-73-7)

InChI

InChI=1S/C7H8O/c1-5-3-7(8)4-6(5)2/h1-4H2

InChI Key

QLTBRYOQIIJWSI-UHFFFAOYSA-N

Formula

C7H8O

SMILES

C=C1CC(=O)CC1=C

Molecular Weight¹

108.14

CAS

27646-73-7

• 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[117.87; 292.41]	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			1.11100e+01
Coefficient B			4.23700e-01
Coefficient C			-1.11000e-04
Coefficient D			-3.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	117.87	J/mol×K	273.00	Calculated Property
Cp,gas	145.72	J/mol×K	353.78	Calculated Property
Cp,gas	171.69	J/mol×K	434.56	Calculated Property
Cp,gas	195.68	J/mol×K	515.33	Calculated Property
Cp,gas	217.59	J/mol×K	596.11	Calculated Property
Cp,gas	237.31	J/mol×K	676.89	Calculated Property
Cp,gas	254.76	J/mol×K	757.67	Calculated Property
Cp,gas	269.82	J/mol×K	838.44	Calculated Property
Cp,gas	282.40	J/mol×K	919.22	Calculated Property
Cp,gas	292.41	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanone, 3,4-bis(methylene)-.

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

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