Chemical Properties of (E)-4-(3-Bromophenyl)-but-3-en-2-one (CAS 65300-30-3)

InChI

InChI=1S/C10H9BrO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-7H,1H3

InChI Key

QZOCEEXEFIACMQ-UHFFFAOYSA-N

Formula

C10H9BrO

SMILES

CC(=O)C=Cc1cccc(Br)c1

Molecular Weight¹

225.08

CAS

65300-30-3

• 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).
• 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	[163.82; 381.18]	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			-2.44400e+01
Coefficient B			8.45620e-01
Coefficient C			-6.20860e-04
Coefficient D			1.80860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.82	J/mol×K	273.00	Calculated Property
Cp,gas	205.02	J/mol×K	353.78	Calculated Property
Cp,gas	240.63	J/mol×K	434.56	Calculated Property
Cp,gas	271.21	J/mol×K	515.33	Calculated Property
Cp,gas	297.33	J/mol×K	596.11	Calculated Property
Cp,gas	319.58	J/mol×K	676.89	Calculated Property
Cp,gas	338.51	J/mol×K	757.67	Calculated Property
Cp,gas	354.71	J/mol×K	838.44	Calculated Property
Cp,gas	368.74	J/mol×K	919.22	Calculated Property
Cp,gas	381.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017851; 0.0002373]	Pa×s	[346.05; 577.67]	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			-1.13605e+01
Coefficient B			1.74141e+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.			346.05
Temperature range, max.			577.67
η	0.0017851	Pa×s	346.05	Calculated Property
η	0.0012600	Pa×s	371.79	Calculated Property
η	0.0009304	Pa×s	397.52	Calculated Property
η	0.0007129	Pa×s	423.26	Calculated Property
η	0.0005631	Pa×s	448.99	Calculated Property
η	0.0004563	Pa×s	474.73	Calculated Property
η	0.0003779	Pa×s	500.46	Calculated Property
η	0.0003187	Pa×s	526.20	Calculated Property
η	0.0002732	Pa×s	551.94	Calculated Property
η	0.0002373	Pa×s	577.67	Calculated Property

Similar Compounds

Find more compounds similar to (E)-4-(3-Bromophenyl)-but-3-en-2-one.

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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