Chemical Properties of Benzenamine, 2,4,6-tribromo- (CAS 147-82-0)

InChI

InChI=1S/C6H4Br3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2

InChI Key

GVPODVKBTHCGFU-UHFFFAOYSA-N

Formula

C6H4Br3N

SMILES

Nc1c(Br)cc(Br)cc1Br

Molecular Weight¹

329.81

CAS

147-82-0

Other Names

• Aniline, 2,4,6-tribromo-
• s-Tribromoaniline
• 2,4,6-Tribromoaniline
• 2,4,6-Tribomoaniline
• 2,4,6-Tribromoanine
• USAF do-43
• 2,4,6-Tribromophenylamine
• sym-Tribromoaniline
• 2,4,6-Tribromobenzenamine

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔcH°solid	-2988.60 ± 3.20	kJ/mol	NIST
ΔfG°	192.57	kJ/mol	Joback Calculated Property
ΔfH°gas	159.00 ± 2.60	kJ/mol	NIST
ΔfH°solid	57.90 ± 2.40	kJ/mol	NIST
ΔfusH°	25.22	kJ/mol	Joback Calculated Property
ΔsubH°	[96.70; 101.10]	kJ/mol
ΔsubH°	96.70 ± 1.70	kJ/mol	NIST
ΔsubH°	101.10 ± 1.10	kJ/mol	NIST
ΔvapH°	63.16	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	3.556		Crippen Calculated Property
McVol	134.120	ml/mol	McGowan Calculated Property
Pc	6461.89	kPa	Joback Calculated Property
Inp	[1635.00; 1651.00]
Inp	1642.00		NIST
Inp	1644.00		NIST
Inp	1646.00		NIST
Inp	1646.00		NIST
Inp	1646.00		NIST
Inp	1648.00		NIST
Inp	1651.00		NIST
Inp	1646.00		NIST
Inp	1646.00		NIST
Inp	Outlier 1635.00		NIST
Tboil	573.20	K	NIST
Tc	930.26	K	Joback Calculated Property
Tfus	[393.00; 395.00]	K
Tfus	393.00 ± 3.00	K	NIST
Tfus	394.85 ± 0.25	K	NIST
Tfus	395.00 ± 3.00	K	NIST
Vc	0.478	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[227.02; 258.34]	J/mol×K	[649.31; 930.26]
Cp,gas	227.02	J/mol×K	649.31	Joback Calculated Property
Cp,gas	233.42	J/mol×K	696.13	Joback Calculated Property
Cp,gas	239.24	J/mol×K	742.96	Joback Calculated Property
Cp,gas	244.57	J/mol×K	789.78	Joback Calculated Property
Cp,gas	249.48	J/mol×K	836.61	Joback Calculated Property
Cp,gas	254.04	J/mol×K	883.43	Joback Calculated Property
Cp,gas	258.34	J/mol×K	930.26	Joback Calculated Property
Cp,solid	181.40	J/mol×K	298.15	NIST
ΔfusH	25.75	kJ/mol	393.00	NIST

Similar Compounds

Find more compounds similar to Benzenamine, 2,4,6-tribromo-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.