Chemical Properties of Benzidine (CAS 92-87-5)

InChI

InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2

InChI Key

HFACYLZERDEVSX-UHFFFAOYSA-N

Formula

C12H12N2

SMILES

Nc1ccc(-c2ccc(N)cc2)cc1

Molecular Weight¹

184.24

CAS

92-87-5

Other Names

• 4,4'-Bianiline
• 4,4'-Biphenyldiamine
• 4,4'-Biphenylenediamine
• 4,4'-Diamino-1,1'-biphenyl
• 4,4'-Diaminobiphenyl
• 4,4'-Diaminodiphenyl
• 4,4'-Diphenylenediamine
• Benzidin
• Benzidina
• Benzydyna
• Biphenyl -4,4'-ylenediamine
• Biphenyl,4,4'-diamino-
• C.I. 37225
• C.I. Azoic Diazo Component 112
• Fast Corinth Base B
• NCI-C03361
• NSC 146476
• Rcra waste number U021
• UN 1885
• [1,1'-Biphenyl]-4,4'-diamine
• p,p'-Bianiline
• p,p'-Diaminobiphenyl
• p,p'-Dianiline
• p,p-Bianiline
• p-Diaminodiphenyl
• p-benzidine

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_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_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ω	0.6352		Relay (1.0) Calculated Property
ΔcH°solid	[-6544.20; -6508.00]	kJ/mol
ΔcH°solid	-6508.00 ± 1.00	kJ/mol	NIST
ΔcH°solid	-6544.20	kJ/mol	NIST
ΔfG°	388.62	kJ/mol	Joback Calculated Property
ΔfH°gas	188.20	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	107.00	kJ/mol	NIST
ΔfusH°	24.53	kJ/mol	Joback Calculated Property
ΔvapH°	100.88	kJ/mol	Relay (1.0) Calculated Property
IE	6.88	eV	NIST
log10WS	[-2.70; -2.70]
log10WS	-2.70		Aq. Solubility Prediction
log10WS	-2.70		Estimated Solubility
logPoct/wat	2.518		Crippen Calculated Property
McVol	152.380	ml/mol	McGowan Calculated Property
Pc	3791.65	kPa	Joback Calculated Property
Inp	[2042.00; 2111.00]
Inp	2111.00		NIST
Inp	2070.00		NIST
Inp	2042.00		NIST
Inp	2111.00		NIST
Inp	2042.00		NIST
Tboil	646.76	K	Relay (1.0) Calculated Property
Tc	908.44	K	Relay (1.0) Calculated Property
Tfus	[273.15; 400.00]	K
Tfus	400.00 ± 1.00	K	NIST
Tfus	273.15 ± 2.00	K	NIST
Vc	0.536	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[19.10; 19.10]	kJ/mol	[400.20; 400.20]
ΔfusH	19.10	kJ/mol	400.20	NIST
ΔfusH	19.10	kJ/mol	400.20	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.38; 467.23]	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			-3.42500e+01
Coefficient B			9.90800e-01
Coefficient C			-6.44120e-04
Coefficient D			1.54800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.38	J/mol×K	273.00	Calculated Property
Cp,gas	242.51	J/mol×K	353.78	Calculated Property
Cp,gas	287.38	J/mol×K	434.56	Calculated Property
Cp,gas	326.47	J/mol×K	515.33	Calculated Property
Cp,gas	360.28	J/mol×K	596.11	Calculated Property
Cp,gas	389.30	J/mol×K	676.89	Calculated Property
Cp,gas	414.01	J/mol×K	757.67	Calculated Property
Cp,gas	434.91	J/mol×K	838.44	Calculated Property
Cp,gas	452.49	J/mol×K	919.22	Calculated Property
Cp,gas	467.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzidine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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