Chemical Properties of 4-Bromophenyl cyclopropyl ketone (CAS 6952-89-2)

InChI

InChI=1S/C10H9BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2

InChI Key

QTHHOINSCNBYQO-UHFFFAOYSA-N

Formula

C10H9BrO

SMILES

O=C(c1ccc(Br)cc1)C1CC1

Molecular Weight¹

225.08

CAS

6952-89-2

Other Names

• (4-Bromophenyl)cyclopropylmethanone
• Methanone, (4-bromophenyl)cyclopropyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[154.38; 391.50]	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			-6.05000e+01
Coefficient B			9.76500e-01
Coefficient C			-7.57260e-04
Coefficient D			2.32760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.38	J/mol×K	273.00	Calculated Property
Cp,gas	200.49	J/mol×K	353.78	Calculated Property
Cp,gas	239.94	J/mol×K	434.56	Calculated Property
Cp,gas	273.47	J/mol×K	515.33	Calculated Property
Cp,gas	301.82	J/mol×K	596.11	Calculated Property
Cp,gas	325.71	J/mol×K	676.89	Calculated Property
Cp,gas	345.89	J/mol×K	757.67	Calculated Property
Cp,gas	363.09	J/mol×K	838.44	Calculated Property
Cp,gas	378.05	J/mol×K	919.22	Calculated Property
Cp,gas	391.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022041; 0.0006331]	Pa×s	[369.07; 584.47]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.50252e+00
Coefficient B			1.24933e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			369.07
Temperature range, max.			584.47
η	0.0022041	Pa×s	369.07	Calculated Property
η	0.0017935	Pa×s	393.00	Calculated Property
η	0.0014944	Pa×s	416.94	Calculated Property
η	0.0012700	Pa×s	440.87	Calculated Property
η	0.0010976	Pa×s	464.80	Calculated Property
η	0.0009622	Pa×s	488.73	Calculated Property
η	0.0008540	Pa×s	512.67	Calculated Property
η	0.0007660	Pa×s	536.60	Calculated Property
η	0.0006935	Pa×s	560.53	Calculated Property
η	0.0006331	Pa×s	584.47	Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromophenyl cyclopropyl ketone.

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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