Chemical Properties of p-Bromobenzylalcohol

InChI

InChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2

InChI Key

VEDDBHYQWFOITD-UHFFFAOYSA-N

Formula

C7H7BrO

SMILES

OCc1ccc(Br)cc1

Molecular Weight¹

187.04

Other Names

• 4-Bromobenzyl alcohol
• Benzenemethanol, 4-bromo-
• Benzyl alcohol, p-bromo-
• p-Bromobenzyl alcohol

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, 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	[125.76; 286.64]	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			-9.59900e+00
Coefficient B			6.02600e-01
Coefficient C			-4.22960e-04
Coefficient D			1.16600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.76	J/mol×K	273.00	Calculated Property
Cp,gas	155.81	J/mol×K	353.78	Calculated Property
Cp,gas	181.96	J/mol×K	434.56	Calculated Property
Cp,gas	204.57	J/mol×K	515.33	Calculated Property
Cp,gas	224.02	J/mol×K	596.11	Calculated Property
Cp,gas	240.66	J/mol×K	676.89	Calculated Property
Cp,gas	254.88	J/mol×K	757.67	Calculated Property
Cp,gas	267.04	J/mol×K	838.44	Calculated Property
Cp,gas	277.50	J/mol×K	919.22	Calculated Property
Cp,gas	286.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030084; 0.0001608]	Pa×s	[350.15; 536.20]	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			-1.42487e+01
Coefficient B			2.95609e+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.			350.15
Temperature range, max.			536.20
η	0.0030084	Pa×s	350.15	Calculated Property
η	0.0018791	Pa×s	370.82	Calculated Property
η	0.0012335	Pa×s	391.49	Calculated Property
η	0.0008446	Pa×s	412.17	Calculated Property
η	0.0005997	Pa×s	432.84	Calculated Property
η	0.0004393	Pa×s	453.51	Calculated Property
η	0.0003306	Pa×s	474.18	Calculated Property
η	0.0002548	Pa×s	494.85	Calculated Property
η	0.0002005	Pa×s	515.52	Calculated Property
η	0.0001608	Pa×s	536.20	Calculated Property

Similar Compounds

Find more compounds similar to p-Bromobenzylalcohol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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