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

InChI

InChI=1S/C9H7Br5O/c1-2-15-3-4-5(10)7(12)9(14)8(13)6(4)11/h2-3H2,1H3

InChI Key

XFODZBFAUIPPPP-UHFFFAOYSA-N

Formula

C9H7Br5O

SMILES

CCOCc1c(Br)c(Br)c(Br)c(Br)c1Br

Molecular Weight¹

530.67

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.77	kJ/mol	Joback Calculated Property
logPoct/wat	6.036		Crippen Calculated Property
McVol	207.280	ml/mol	McGowan Calculated Property
Inp	[2534.00; 2534.00]
Inp	2534.00		NIST
Inp	2534.00		NIST
Tfus	411.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[237.24; 413.77]	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			9.87520e+01
Coefficient B			6.10220e-01
Coefficient C			-4.07800e-04
Coefficient D			1.12600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.24	J/mol×K	273.00	Calculated Property
Cp,gas	268.58	J/mol×K	353.78	Calculated Property
Cp,gas	296.16	J/mol×K	434.56	Calculated Property
Cp,gas	320.33	J/mol×K	515.33	Calculated Property
Cp,gas	341.45	J/mol×K	596.11	Calculated Property
Cp,gas	359.88	J/mol×K	676.89	Calculated Property
Cp,gas	375.97	J/mol×K	757.67	Calculated Property
Cp,gas	390.08	J/mol×K	838.44	Calculated Property
Cp,gas	402.56	J/mol×K	919.22	Calculated Property
Cp,gas	413.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003276; 0.0001398]	Pa×s	[601.44; 757.89]	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			-1.21489e+01
Coefficient B			2.48099e+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.			601.44
Temperature range, max.			757.89
η	0.0003276	Pa×s	601.44	Calculated Property
η	0.0002917	Pa×s	618.82	Calculated Property
η	0.0002615	Pa×s	636.21	Calculated Property
η	0.0002357	Pa×s	653.59	Calculated Property
η	0.0002136	Pa×s	670.97	Calculated Property
η	0.0001946	Pa×s	688.36	Calculated Property
η	0.0001781	Pa×s	705.74	Calculated Property
η	0.0001636	Pa×s	723.12	Calculated Property
η	0.0001510	Pa×s	740.51	Calculated Property
η	0.0001398	Pa×s	757.89	Calculated Property

Similar Compounds

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