Chemical Properties of 1,2-Benzenediamine, N,N,N',N'-tetramethyl- (CAS 704-01-8)

InChI

InChI=1S/C10H16N2/c1-11(2)9-7-5-6-8-10(9)12(3)4/h5-8H,1-4H3

InChI Key

CJVYYDCBKKKIPD-UHFFFAOYSA-N

Formula

C10H16N2

SMILES

CN(C)c1ccccc1N(C)C

Molecular Weight¹

164.25

CAS

704-01-8

Other Names

• N,N,N',N'-Tetramethyl-1,2-benzenediamine
• N,N,N',N'-Tetramethyl-o-phenylenediamine
• o-Phenylenebis(dimethylamine)
• o-Phenylenediamine, N,N,N',N'-tetramethyl-
• N1,N1,N2,N2-Tetramethyl-1,2-benzenediamine
• 1,2-Phenylenediamine, N,N,N',N'-tetramethyl-
• N,N,N',N'-tetramethylbenzene-1,2-diamine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_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	0.5151		Relay (1.0) Calculated Property
PAff	982.60	kJ/mol	NIST
BasG	950.20	kJ/mol	NIST
ΔfG°	357.66	kJ/mol	Joback Calculated Property
ΔfH°gas	95.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.35	kJ/mol	Joback Calculated Property
ΔvapH°	64.82	kJ/mol	Relay (1.0) Calculated Property
IE	[7.10; 7.36]	eV
IE	7.10	eV	NIST
IE	7.36	eV	NIST
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	1.819		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Pc	2871.95	kPa	Joback Calculated Property
Inp	[1246.00; 1246.00]
Inp	1246.00		NIST
Inp	1246.00		NIST
Tboil	523.99	K	Relay (1.0) Calculated Property
Tc	728.81	K	Relay (1.0) Calculated Property
Tfus	306.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume 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	[193.93; 489.73]	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			-4.71900e+01
Coefficient B			1.06328e+00
Coefficient C			-7.09560e-04
Coefficient D			1.83200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.93	J/mol×K	273.00	Calculated Property
Cp,gas	248.28	J/mol×K	353.78	Calculated Property
Cp,gas	295.91	J/mol×K	434.56	Calculated Property
Cp,gas	337.39	J/mol×K	515.33	Calculated Property
Cp,gas	373.31	J/mol×K	596.11	Calculated Property
Cp,gas	404.24	J/mol×K	676.89	Calculated Property
Cp,gas	430.77	J/mol×K	757.67	Calculated Property
Cp,gas	453.48	J/mol×K	838.44	Calculated Property
Cp,gas	472.94	J/mol×K	919.22	Calculated Property
Cp,gas	489.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Benzenediamine, N,N,N',N'-tetramethyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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