Chemical Properties of Benzenemethanol, .alpha.-(bromomethyl)-

InChI

InChI=1S/C8H9BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2

InChI Key

DAHHEUQBMDBSLO-UHFFFAOYSA-N

Formula

C8H9BrO

SMILES

OC(CBr)c1ccccc1

Molecular Weight¹

201.06

Other Names

• 2-Bromo-1-phenylethanol
• Benzyl alcohol, «alpha»-(bromomethyl)-
• Styrene bromohydrin
• Styrene «beta»-bromohydrin
• «alpha»-(bromomethyl)benzyl 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).
• 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, 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	[144.11; 341.81]	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			-2.64890e+01
Coefficient B			7.63000e-01
Coefficient C			-5.47600e-04
Coefficient D			1.52900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.11	J/mol×K	273.00	Calculated Property
Cp,gas	181.68	J/mol×K	353.78	Calculated Property
Cp,gas	214.22	J/mol×K	434.56	Calculated Property
Cp,gas	242.21	J/mol×K	515.33	Calculated Property
Cp,gas	266.14	J/mol×K	596.11	Calculated Property
Cp,gas	286.50	J/mol×K	676.89	Calculated Property
Cp,gas	303.76	J/mol×K	757.67	Calculated Property
Cp,gas	318.41	J/mol×K	838.44	Calculated Property
Cp,gas	330.93	J/mol×K	919.22	Calculated Property
Cp,gas	341.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0106720; 0.0001394]	Pa×s	[311.96; 548.35]	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			-1.46034e+01
Coefficient B			3.13933e+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.			311.96
Temperature range, max.			548.35
η	0.0106720	Pa×s	311.96	Calculated Property
η	0.0048848	Pa×s	338.23	Calculated Property
η	0.0025025	Pa×s	364.49	Calculated Property
η	0.0014026	Pa×s	390.76	Calculated Property
η	0.0008456	Pa×s	417.02	Calculated Property
η	0.0005413	Pa×s	443.29	Calculated Property
η	0.0003643	Pa×s	469.55	Calculated Property
η	0.0002556	Pa×s	495.82	Calculated Property
η	0.0001859	Pa×s	522.09	Calculated Property
η	0.0001394	Pa×s	548.35	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, .alpha.-(bromomethyl)-.

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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