Chemical Properties of 1-Amino-2-bromo-4-p-toluidinoanthraquinone (CAS 128-83-6)

InChI

InChI=1S/C21H15BrN2O2/c1-11-6-8-12(9-7-11)24-16-10-15(22)19(23)18-17(16)20(25)13-4-2-3-5-14(13)21(18)26/h2-10,24H,23H2,1H3

InChI Key

SPDRRRCQUXHHLH-UHFFFAOYSA-N

Formula

C21H15BrN2O2

SMILES

Cc1ccc(Nc2cc(Br)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

Molecular Weight¹

407.26

CAS

128-83-6

Other Names

• 1-Amino-2-bromo-4-[(4-methylphenyl)amino]-9,10-anthraquinone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[808.99; 845.08]	J/mol×K	[1121.44; 1407.71]
Cp,gas	808.99	J/mol×K	1121.44	Joback Calculated Property
Cp,gas	817.77	J/mol×K	1169.15	Joback Calculated Property
Cp,gas	825.30	J/mol×K	1216.86	Joback Calculated Property
Cp,gas	831.70	J/mol×K	1264.57	Joback Calculated Property
Cp,gas	837.07	J/mol×K	1312.29	Joback Calculated Property
Cp,gas	841.49	J/mol×K	1360.00	Joback Calculated Property
Cp,gas	845.08	J/mol×K	1407.71	Joback Calculated Property
ΔsubH	167.00 ± 6.00	kJ/mol	428.00	NIST

Similar Compounds

Find more compounds similar to 1-Amino-2-bromo-4-p-toluidinoanthraquinone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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