Chemical Properties of [1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl- (CAS 119-93-7)

InChI

InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3

InChI Key

NUIURNJTPRWVAP-UHFFFAOYSA-N

Formula

C14H16N2

SMILES

Cc1cc(-c2ccc(N)c(C)c2)ccc1N

Molecular Weight¹

212.29

CAS

119-93-7

Other Names

• 2-Tolidin
• 2-Tolidina
• 2-Tolidine
• 3,3'-Dimethyl-4,4'-biphenyldiamine
• 3,3'-Dimethyl-4,4'-diaminobiphenyl
• 3,3'-Dimethyl-4,4'-diphenyldiamine
• 3,3'-Dimethylbenzidine
• 3,3'-Dimethyldiphenyl-4,4'-diamine
• 3,3'-Tolidine
• 3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine
• 3,3'-dimethylbiphenyl-4,4'-diamine
• 4,4'-Bi-o-toluidine
• 4,4'-Di-o-toluidine
• 4,4'-Diamino-3,3'-dimethylbiphenyl
• 4,4'-Diamino-3,3'-dimethyldiphenyl
• Benzidine, 3,3'-dimethyl-
• C.I. 37230
• C.I. Azoic Diazo Component 113
• Diaminoditolyl
• Fast Dark Blue Base R
• O,O'-Tolidine
• Rcra waste number U095
• o-Tolidin
• o-tolidine

• ω : Acentric Factor.
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6787		Relay (1.0) Calculated Property
ΔfH°gas	122.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.94	kJ/mol	Joback Calculated Property
ΔvapH°	107.95	kJ/mol	Relay (1.0) Calculated Property
IE	7.11	eV	Relay (1.0) Calculated Property
log10WS	-3.61		Relay (1.0) Calculated Property
logPoct/wat	3.135		Crippen Calculated Property
McVol	180.560	ml/mol	McGowan Calculated Property
Pc	2934.52	kPa	Joback Calculated Property
Inp	[380.70; 381.39]
Inp	381.39		NIST
Inp	380.70		NIST
Tboil	644.80	K	Relay (1.0) Calculated Property
Tc	913.39	K	Relay (1.0) Calculated Property
Tfus	399.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[238.91; 564.33]	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			-7.47000e+00
Coefficient B			1.06184e+00
Coefficient C			-6.18840e-04
Coefficient D			1.28800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.91	J/mol×K	273.00	Calculated Property
Cp,gas	296.44	J/mol×K	353.78	Calculated Property
Cp,gas	347.67	J/mol×K	434.56	Calculated Property
Cp,gas	393.01	J/mol×K	515.33	Calculated Property
Cp,gas	432.88	J/mol×K	596.11	Calculated Property
Cp,gas	467.68	J/mol×K	676.89	Calculated Property
Cp,gas	497.82	J/mol×K	757.67	Calculated Property
Cp,gas	523.70	J/mol×K	838.44	Calculated Property
Cp,gas	545.74	J/mol×K	919.22	Calculated Property
Cp,gas	564.33	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to [1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-.

Mixtures

• Carbon dioxide + [1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-
• Carbon dioxide + [1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl- + Ethanol
• Carbon dioxide + 1,2-Ethanediol + [1,1'-Biphenyl]-4,4'-diamine, 3,3'-dimethyl-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility of o-tolidine in pure and modified supercritical carbon dioxide
• Joback Method
• McGowan Method
• NIST Webbook

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