Chemical Properties of 4-Bromophenol, isoBOC

InChI

InChI=1S/C11H13BrO3/c1-8(2)7-14-11(13)15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3

InChI Key

BJLRPRWZWOGQSZ-UHFFFAOYSA-N

Formula

C11H13BrO3

SMILES

CC(C)COC(=O)Oc1ccc(Br)cc1

Molecular Weight¹

273.12

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.22	kJ/mol	Joback Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	3.620		Crippen Calculated Property
McVol	172.900	ml/mol	McGowan Calculated Property
Inp	[1652.00; 1652.00]
Inp	1652.00		NIST
Inp	1652.00		NIST
Tboil	565.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[229.54; 501.48]	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			3.07010e+01
Coefficient B			8.36540e-01
Coefficient C			-4.07760e-04
Coefficient D			4.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.54	J/mol×K	273.00	Calculated Property
Cp,gas	277.48	J/mol×K	353.78	Calculated Property
Cp,gas	320.67	J/mol×K	434.56	Calculated Property
Cp,gas	359.26	J/mol×K	515.33	Calculated Property
Cp,gas	393.37	J/mol×K	596.11	Calculated Property
Cp,gas	423.14	J/mol×K	676.89	Calculated Property
Cp,gas	448.71	J/mol×K	757.67	Calculated Property
Cp,gas	470.20	J/mol×K	838.44	Calculated Property
Cp,gas	487.74	J/mol×K	919.22	Calculated Property
Cp,gas	501.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015931; 0.0001524]	Pa×s	[362.03; 596.30]	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			-1.24161e+01
Coefficient B			2.16277e+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.			362.03
Temperature range, max.			596.30
η	0.0015931	Pa×s	362.03	Calculated Property
η	0.0010671	Pa×s	388.06	Calculated Property
η	0.0007517	Pa×s	414.09	Calculated Property
η	0.0005520	Pa×s	440.12	Calculated Property
η	0.0004195	Pa×s	466.15	Calculated Property
η	0.0003282	Pa×s	492.18	Calculated Property
η	0.0002632	Pa×s	518.21	Calculated Property
η	0.0002156	Pa×s	544.24	Calculated Property
η	0.0001798	Pa×s	570.27	Calculated Property
η	0.0001524	Pa×s	596.30	Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromophenol, isoBOC.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.