Chemical Properties of N,N-dimethyl-N'-phenylethylenediamine (CAS 6711-46-2)

InChI

InChI=1S/C10H16N2/c1-12(2)9-8-11-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3

InChI Key

FRCVOKAWJJIJHQ-UHFFFAOYSA-N

Formula

C10H16N2

SMILES

CN(C)CCNc1ccccc1

Molecular Weight¹

164.25

CAS

6711-46-2

• 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
ΔfH°gas	88.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.82	kJ/mol	Joback Calculated Property
ΔvapH°	66.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-0.86		Relay (1.0) Calculated Property
logPoct/wat	1.660		Crippen Calculated Property
McVol	147.960	ml/mol	McGowan Calculated Property
Pc	2966.57	kPa	Joback Calculated Property
Inp	[1377.40; 1377.40]
Inp	1377.40		NIST
Inp	1377.40		NIST
Tboil	530.94	K	Relay (1.0) Calculated Property
Tc	752.04	K	Relay (1.0) Calculated Property
Tfus	266.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[192.06; 491.63]	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			-5.20080e+01
Coefficient B			1.07504e+00
Coefficient C			-7.12600e-04
Coefficient D			1.81200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.06	J/mol×K	273.00	Calculated Property
Cp,gas	247.15	J/mol×K	353.78	Calculated Property
Cp,gas	295.46	J/mol×K	434.56	Calculated Property
Cp,gas	337.55	J/mol×K	515.33	Calculated Property
Cp,gas	374.00	J/mol×K	596.11	Calculated Property
Cp,gas	405.37	J/mol×K	676.89	Calculated Property
Cp,gas	432.25	J/mol×K	757.67	Calculated Property
Cp,gas	455.21	J/mol×K	838.44	Calculated Property
Cp,gas	474.81	J/mol×K	919.22	Calculated Property
Cp,gas	491.63	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N,N-dimethyl-N'-phenylethylenediamine.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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