Chemical Properties of 4-Chloro-3-methylphenacyl bromide (CAS 205178-80-9)

InChI

InChI=1S/C9H8BrClO/c1-6-4-7(9(12)5-10)2-3-8(6)11/h2-4H,5H2,1H3

InChI Key

LUCPZLPBUCDKQE-UHFFFAOYSA-N

Formula

C9H8BrClO

SMILES

Cc1cc(C(=O)CBr)ccc1Cl

Molecular Weight¹

247.52

CAS

205178-80-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[172.57; 365.40]	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			1.78410e+01
Coefficient B			6.77920e-01
Coefficient C			-4.36020e-04
Coefficient D			1.05660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.57	J/mol×K	273.00	Calculated Property
Cp,gas	207.78	J/mol×K	353.78	Calculated Property
Cp,gas	238.77	J/mol×K	434.56	Calculated Property
Cp,gas	265.86	J/mol×K	515.33	Calculated Property
Cp,gas	289.40	J/mol×K	596.11	Calculated Property
Cp,gas	309.71	J/mol×K	676.89	Calculated Property
Cp,gas	327.13	J/mol×K	757.67	Calculated Property
Cp,gas	342.00	J/mol×K	838.44	Calculated Property
Cp,gas	354.64	J/mol×K	919.22	Calculated Property
Cp,gas	365.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015102; 0.0002938]	Pa×s	[382.30; 587.63]	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			-1.11805e+01
Coefficient B			1.79107e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			382.30
Temperature range, max.			587.63
η	0.0015102	Pa×s	382.30	Calculated Property
η	0.0011600	Pa×s	405.11	Calculated Property
η	0.0009164	Pa×s	427.93	Calculated Property
η	0.0007414	Pa×s	450.74	Calculated Property
η	0.0006123	Pa×s	473.56	Calculated Property
η	0.0005146	Pa×s	496.37	Calculated Property
η	0.0004391	Pa×s	519.19	Calculated Property
η	0.0003798	Pa×s	542.00	Calculated Property
η	0.0003323	Pa×s	564.82	Calculated Property
η	0.0002938	Pa×s	587.63	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chloro-3-methylphenacyl bromide.

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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