Chemical Properties of 4-AMINOBENZALDEHYDE, N,N-DI[2-CHLOROETHYL]-

InChI

InChI=1S/C11H13Cl2NO/c12-5-7-14(8-6-13)11-3-1-10(9-15)2-4-11/h1-4,9H,5-8H2

InChI Key

PXUFHXLGUJLBMI-UHFFFAOYSA-N

Formula

C11H13Cl2NO

SMILES

O=Cc1ccc(N(CCCl)CCCl)cc1

Molecular Weight¹

246.14

Other Names

• 4-(N,N-Bis(2-chloroethyl)amino)benzaldehyde
• 4-Bis(2-chloroethyl)aminobenzaldehyde
• Benzaldehyde, 4-(bis(2-chloroethyl)amino)-
• Benzaldehyde, p-(bis(2-chloroethyl)amino)-
• p-Bis(2-chloroethyl)aminobenzaldehyde
• p-Bis(«beta»-chloroethyl)aminobenzaldehyde
• p-N,N-Bis(2-chloroethyl)aminobenzaldehyde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[231.36; 510.61]	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			-2.26000e-01
Coefficient B			1.02240e+00
Coefficient C			-6.85160e-04
Coefficient D			1.73600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.36	J/mol×K	273.00	Calculated Property
Cp,gas	283.41	J/mol×K	353.78	Calculated Property
Cp,gas	328.92	J/mol×K	434.56	Calculated Property
Cp,gas	368.45	J/mol×K	515.33	Calculated Property
Cp,gas	402.54	J/mol×K	596.11	Calculated Property
Cp,gas	431.74	J/mol×K	676.89	Calculated Property
Cp,gas	456.60	J/mol×K	757.67	Calculated Property
Cp,gas	477.66	J/mol×K	838.44	Calculated Property
Cp,gas	495.49	J/mol×K	919.22	Calculated Property
Cp,gas	510.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-AMINOBENZALDEHYDE, N,N-DI[2-CHLOROETHYL]-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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