Chemical Properties of Benzhydrol, 4-bromo- (CAS 29334-16-5)

InChI

InChI=1S/C13H11BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H

InChI Key

WTIWDBNPPSHSCB-UHFFFAOYSA-N

Formula

C13H11BrO

SMILES

OC(c1ccccc1)c1ccc(Br)cc1

Molecular Weight¹

263.13

CAS

29334-16-5

Other Names

• p-Bromobenzhydrol
• 4-Bromobenzhydrol
• Benzenemethanol, 4-bromo-«alpha»-phenyl-
• (4-Bromophenyl)phenylmethanol
• Phenyl-p-bromophenyl methanol
• p-bromobenzhydryl alcohol

• ω : Acentric Factor.
• 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).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.47; 478.20]	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			-5.06400e+01
Coefficient B			1.09960e+00
Coefficient C			-7.83760e-04
Coefficient D			2.13000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.47	J/mol×K	273.00	Calculated Property
Cp,gas	249.71	J/mol×K	353.78	Calculated Property
Cp,gas	296.67	J/mol×K	434.56	Calculated Property
Cp,gas	337.03	J/mol×K	515.33	Calculated Property
Cp,gas	371.46	J/mol×K	596.11	Calculated Property
Cp,gas	400.62	J/mol×K	676.89	Calculated Property
Cp,gas	425.21	J/mol×K	757.67	Calculated Property
Cp,gas	445.88	J/mol×K	838.44	Calculated Property
Cp,gas	463.32	J/mol×K	919.22	Calculated Property
Cp,gas	478.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018391; 0.0000591]	Pa×s	[407.25; 667.36]	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			-1.51193e+01
Coefficient B			3.59229e+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.			407.25
Temperature range, max.			667.36
η	0.0018391	Pa×s	407.25	Calculated Property
η	0.0010251	Pa×s	436.15	Calculated Property
η	0.0006144	Pa×s	465.05	Calculated Property
η	0.0003910	Pa×s	493.95	Calculated Property
η	0.0002616	Pa×s	522.86	Calculated Property
η	0.0001825	Pa×s	551.76	Calculated Property
η	0.0001320	Pa×s	580.66	Calculated Property
η	0.0000984	Pa×s	609.56	Calculated Property
η	0.0000754	Pa×s	638.46	Calculated Property
η	0.0000591	Pa×s	667.36	Calculated Property

Similar Compounds

Find more compounds similar to Benzhydrol, 4-bromo-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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