Chemical Properties of 4-Bromodesoxybenzoin (CAS 2001-29-8)

InChI

InChI=1S/C14H11BrO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2

InChI Key

MOSIKPSTRPODHQ-UHFFFAOYSA-N

Formula

C14H11BrO

SMILES

O=C(Cc1ccccc1)c1ccc(Br)cc1

Molecular Weight¹

275.14

CAS

2001-29-8

Other Names

• Benzyl 4-bromophenyl ketone
• Ethanone, 1-(4-bromophenyl)-2-phenyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[426.04; 491.77]	J/mol×K	[698.09; 957.04]
Cp,gas	426.04	J/mol×K	698.09	Joback Calculated Property
Cp,gas	439.70	J/mol×K	741.25	Joback Calculated Property
Cp,gas	452.15	J/mol×K	784.41	Joback Calculated Property
Cp,gas	463.48	J/mol×K	827.56	Joback Calculated Property
Cp,gas	473.80	J/mol×K	870.72	Joback Calculated Property
Cp,gas	483.20	J/mol×K	913.88	Joback Calculated Property
Cp,gas	491.77	J/mol×K	957.04	Joback Calculated Property
η	[0.0001773; 0.0013511]	Pa×s	[422.63; 698.09]
η	0.0013511	Pa×s	422.63	Joback Calculated Property
η	0.0008160	Pa×s	468.54	Joback Calculated Property
η	0.0005392	Pa×s	514.45	Joback Calculated Property
η	0.0003813	Pa×s	560.36	Joback Calculated Property
η	0.0002842	Pa×s	606.27	Joback Calculated Property
η	0.0002208	Pa×s	652.18	Joback Calculated Property
η	0.0001773	Pa×s	698.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromodesoxybenzoin.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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