Chemical Properties of BICYCLO[3.2.0]HEPT-2-EN-6-ONE, 7,7-DICHLORO-

InChI

InChI=1S/C7H6Cl2O/c8-7(9)5-3-1-2-4(5)6(7)10/h1,3-5H,2H2

InChI Key

JBPBARAOHIDZPU-UHFFFAOYSA-N

Formula

C7H6Cl2O

SMILES

O=C1C2CC=CC2C1(Cl)Cl

Molecular Weight¹

177.03

Other Names

• 7,7-dichlorobicyclo[3.2.0]hept-2-en-6-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).
• 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	[127.24; 340.08]	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			-8.31400e+01
Coefficient B			1.01570e+00
Coefficient C			-1.01228e-03
Coefficient D			4.19800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.24	J/mol×K	273.00	Calculated Property
Cp,gas	168.08	J/mol×K	353.78	Calculated Property
Cp,gas	201.53	J/mol×K	434.56	Calculated Property
Cp,gas	228.91	J/mol×K	515.33	Calculated Property
Cp,gas	251.54	J/mol×K	596.11	Calculated Property
Cp,gas	270.77	J/mol×K	676.89	Calculated Property
Cp,gas	287.90	J/mol×K	757.67	Calculated Property
Cp,gas	304.28	J/mol×K	838.44	Calculated Property
Cp,gas	321.23	J/mol×K	919.22	Calculated Property
Cp,gas	340.08	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to BICYCLO[3.2.0]HEPT-2-EN-6-ONE, 7,7-DICHLORO-.

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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