Chemical Properties of 2,3,5,6-Tetramethyl-para-phenylenediamine (CAS 3102-87-2)

InChI

InChI=1S/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3

InChI Key

WCZNKVPCIFMXEQ-UHFFFAOYSA-N

Formula

C10H16N2

SMILES

Cc1c(C)c(N)c(C)c(C)c1N

Molecular Weight¹

164.25

CAS

3102-87-2

Other Names

• 2,3,5,6-Tetramethyl-p-phenylenediamine
• 1,4-Benzenediamine, 2,3,5,6-tetramethyl-

• 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).
• 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
ω	0.6071		Relay (1.0) Calculated Property
ΔfH°gas	-11.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.15	kJ/mol	Joback Calculated Property
ΔvapH°	83.14	kJ/mol	Relay (1.0) Calculated Property
IE	[6.43; 8.63]	eV
IE	6.43	eV	NIST
IE	8.63 ± 0.03	eV	NIST
log10WS	-2.40		Relay (1.0) Calculated Property
logPoct/wat	2.085		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Pc	3059.17	kPa	Joback Calculated Property
Tboil	559.99	K	Relay (1.0) Calculated Property
Tc	806.14	K	Relay (1.0) Calculated Property
Tfus	422.15 ± 2.00	K	NIST
Vc	0.514	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.86; 473.45]	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			4.43700e+01
Coefficient B			7.01280e-01
Coefficient C			-3.03000e-04
Coefficient D			3.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.86	J/mol×K	273.00	Calculated Property
Cp,gas	255.91	J/mol×K	353.78	Calculated Property
Cp,gas	294.42	J/mol×K	434.56	Calculated Property
Cp,gas	329.51	J/mol×K	515.33	Calculated Property
Cp,gas	361.26	J/mol×K	596.11	Calculated Property
Cp,gas	389.78	J/mol×K	676.89	Calculated Property
Cp,gas	415.16	J/mol×K	757.67	Calculated Property
Cp,gas	437.50	J/mol×K	838.44	Calculated Property
Cp,gas	456.90	J/mol×K	919.22	Calculated Property
Cp,gas	473.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,5,6-Tetramethyl-para-phenylenediamine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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