Chemical Properties of 3,5-Dibromoanthranilic acid (CAS 609-85-8)

InChI

InChI=1S/C7H5Br2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)

InChI Key

WNABMWFLKQEGCP-UHFFFAOYSA-N

Formula

C7H5Br2NO2

SMILES

Nc1c(Br)cc(Br)cc1C(=O)O

Molecular Weight¹

294.93

CAS

609-85-8

Other Names

• 2-Amino-3,5-dibromobenzoic acid
• Benzoic acid, 2-amino-3,5-dibromo-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Property	Value	Unit	Source
ΔfH°gas	-257.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.67	kJ/mol	Joback Calculated Property
log10WS	-3.85		Relay (1.0) Calculated Property
logPoct/wat	2.492		Crippen Calculated Property
McVol	138.150	ml/mol	McGowan Calculated Property
Tboil	606.15	K	Relay (1.0) Calculated Property
Tfus	[505.15; 506.15]	K
Tfus	506.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	505.15 ± 3.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[166.34; 317.71]	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			3.29900e+01
Coefficient B			6.00500e-01
Coefficient C			-4.45880e-04
Coefficient D			1.30100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.34	J/mol×K	273.00	Calculated Property
Cp,gas	195.39	J/mol×K	353.78	Calculated Property
Cp,gas	220.42	J/mol×K	434.56	Calculated Property
Cp,gas	241.84	J/mol×K	515.33	Calculated Property
Cp,gas	260.07	J/mol×K	596.11	Calculated Property
Cp,gas	275.52	J/mol×K	676.89	Calculated Property
Cp,gas	288.59	J/mol×K	757.67	Calculated Property
Cp,gas	299.71	J/mol×K	838.44	Calculated Property
Cp,gas	309.28	J/mol×K	919.22	Calculated Property
Cp,gas	317.71	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dibromoanthranilic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.