Chemical Properties of 2-Bromobenzyl alcohol, isopropyl ether

InChI

InChI=1S/C10H13BrO/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8H,7H2,1-2H3

InChI Key

GRVVRTKOGFUJML-UHFFFAOYSA-N

Formula

C10H13BrO

SMILES

CC(C)OCc1ccccc1Br

Molecular Weight¹

229.11

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, Ionization energy, Log10 of Water solubility in mol/l 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	[191.99; 441.78]	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			6.20100e+00
Coefficient B			7.96340e-01
Coefficient C			-4.47960e-04
Coefficient D			8.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.99	J/mol×K	273.00	Calculated Property
Cp,gas	235.72	J/mol×K	353.78	Calculated Property
Cp,gas	274.82	J/mol×K	434.56	Calculated Property
Cp,gas	309.55	J/mol×K	515.33	Calculated Property
Cp,gas	340.20	J/mol×K	596.11	Calculated Property
Cp,gas	367.03	J/mol×K	676.89	Calculated Property
Cp,gas	390.33	J/mol×K	757.67	Calculated Property
Cp,gas	410.37	J/mol×K	838.44	Calculated Property
Cp,gas	427.43	J/mol×K	919.22	Calculated Property
Cp,gas	441.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020654; 0.0001992]	Pa×s	[308.43; 540.82]	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			-1.16258e+01
Coefficient B			1.67889e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			308.43
Temperature range, max.			540.82
η	0.0020654	Pa×s	308.43	Calculated Property
η	0.0013564	Pa×s	334.25	Calculated Property
η	0.0009461	Pa×s	360.07	Calculated Property
η	0.0006926	Pa×s	385.89	Calculated Property
η	0.0005272	Pa×s	411.72	Calculated Property
η	0.0004144	Pa×s	437.54	Calculated Property
η	0.0003346	Pa×s	463.36	Calculated Property
η	0.0002764	Pa×s	489.18	Calculated Property
η	0.0002327	Pa×s	515.00	Calculated Property
η	0.0001992	Pa×s	540.82	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromobenzyl alcohol, isopropyl ether.

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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