Chemical Properties of 2-Bromobenzyl alcohol, 2-methylpropyl ether

InChI

InChI=1S/C11H15BrO/c1-9(2)7-13-8-10-5-3-4-6-11(10)12/h3-6,9H,7-8H2,1-2H3

InChI Key

SDHOXPABQZEJNM-UHFFFAOYSA-N

Formula

C11H15BrO

SMILES

CC(C)COCc1ccccc1Br

Molecular Weight¹

243.14

• 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	[213.20; 493.37]	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			5.29200e+00
Coefficient B			8.91340e-01
Coefficient C			-5.02360e-04
Coefficient D			9.91000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.20	J/mol×K	273.00	Calculated Property
Cp,gas	262.14	J/mol×K	353.78	Calculated Property
Cp,gas	305.90	J/mol×K	434.56	Calculated Property
Cp,gas	344.78	J/mol×K	515.33	Calculated Property
Cp,gas	379.11	J/mol×K	596.11	Calculated Property
Cp,gas	409.19	J/mol×K	676.89	Calculated Property
Cp,gas	435.35	J/mol×K	757.67	Calculated Property
Cp,gas	457.89	J/mol×K	838.44	Calculated Property
Cp,gas	477.13	J/mol×K	919.22	Calculated Property
Cp,gas	493.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019905; 0.0001907]	Pa×s	[319.70; 554.01]	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			-1.17653e+01
Coefficient B			1.77305e+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.			319.70
Temperature range, max.			554.01
η	0.0019905	Pa×s	319.70	Calculated Property
η	0.0013110	Pa×s	345.73	Calculated Property
η	0.0009154	Pa×s	371.77	Calculated Property
η	0.0006700	Pa×s	397.80	Calculated Property
η	0.0005095	Pa×s	423.84	Calculated Property
η	0.0004000	Pa×s	449.87	Calculated Property
η	0.0003224	Pa×s	475.90	Calculated Property
η	0.0002658	Pa×s	501.94	Calculated Property
η	0.0002233	Pa×s	527.97	Calculated Property
η	0.0001907	Pa×s	554.01	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromobenzyl alcohol, 2-methylpropyl 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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