Chemical Properties of 2,3,4,5,6-Pentabromobenzyl alcohol, isopropyl ether

InChI

InChI=1S/C10H9Br5O/c1-4(2)16-3-5-6(11)8(13)10(15)9(14)7(5)12/h4H,3H2,1-2H3

InChI Key

NNSBCOLNALHIIO-UHFFFAOYSA-N

Formula

C10H9Br5O

SMILES

CC(C)OCc1c(Br)c(Br)c(Br)c(Br)c1Br

Molecular Weight¹

544.70

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

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[258.14; 465.90]	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			9.61610e+01
Coefficient B			7.11140e-01
Coefficient C			-4.65400e-04
Coefficient D			1.24000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.14	J/mol×K	273.00	Calculated Property
Cp,gas	294.99	J/mol×K	353.78	Calculated Property
Cp,gas	327.48	J/mol×K	434.56	Calculated Property
Cp,gas	356.01	J/mol×K	515.33	Calculated Property
Cp,gas	380.97	J/mol×K	596.11	Calculated Property
Cp,gas	402.74	J/mol×K	676.89	Calculated Property
Cp,gas	421.73	J/mol×K	757.67	Calculated Property
Cp,gas	438.33	J/mol×K	838.44	Calculated Property
Cp,gas	452.92	J/mol×K	919.22	Calculated Property
Cp,gas	465.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003084; 0.0001146]	Pa×s	[597.71; 772.75]	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			-1.24558e+01
Coefficient B			2.61297e+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.			597.71
Temperature range, max.			772.75
η	0.0003084	Pa×s	597.71	Calculated Property
η	0.0002687	Pa×s	617.16	Calculated Property
η	0.0002361	Pa×s	636.61	Calculated Property
η	0.0002091	Pa×s	656.06	Calculated Property
η	0.0001864	Pa×s	675.51	Calculated Property
η	0.0001673	Pa×s	694.96	Calculated Property
η	0.0001510	Pa×s	714.41	Calculated Property
η	0.0001371	Pa×s	733.86	Calculated Property
η	0.0001250	Pa×s	753.30	Calculated Property
η	0.0001146	Pa×s	772.75	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,5,6-Pentabromobenzyl 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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