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

InChI

InChI=1S/C12H17BrO/c1-3-10(2)8-14-9-11-6-4-5-7-12(11)13/h4-7,10H,3,8-9H2,1-2H3

InChI Key

PBDRFSROPYAYMA-UHFFFAOYSA-N

Formula

C12H17BrO

SMILES

CCC(C)COCc1ccccc1Br

Molecular Weight¹

257.17

• 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	[234.42; 544.96]	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			4.38300e+00
Coefficient B			9.86340e-01
Coefficient C			-5.56760e-04
Coefficient D			1.11000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.42	J/mol×K	273.00	Calculated Property
Cp,gas	288.56	J/mol×K	353.78	Calculated Property
Cp,gas	336.97	J/mol×K	434.56	Calculated Property
Cp,gas	380.01	J/mol×K	515.33	Calculated Property
Cp,gas	418.02	J/mol×K	596.11	Calculated Property
Cp,gas	451.36	J/mol×K	676.89	Calculated Property
Cp,gas	480.37	J/mol×K	757.67	Calculated Property
Cp,gas	505.40	J/mol×K	838.44	Calculated Property
Cp,gas	526.82	J/mol×K	919.22	Calculated Property
Cp,gas	544.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018986; 0.0001810]	Pa×s	[330.97; 567.31]	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			-1.19083e+01
Coefficient B			1.86721e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			330.97
Temperature range, max.			567.31
η	0.0018986	Pa×s	330.97	Calculated Property
η	0.0012541	Pa×s	357.23	Calculated Property
η	0.0008768	Pa×s	383.49	Calculated Property
η	0.0006417	Pa×s	409.75	Calculated Property
η	0.0004877	Pa×s	436.01	Calculated Property
η	0.0003824	Pa×s	462.27	Calculated Property
η	0.0003078	Pa×s	488.53	Calculated Property
η	0.0002532	Pa×s	514.79	Calculated Property
η	0.0002124	Pa×s	541.05	Calculated Property
η	0.0001810	Pa×s	567.31	Calculated Property

Similar Compounds

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