Chemical Properties of 4-Bis(2-chloroethyl)aminobenzaldehyde (CAS 1208-03-3)

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

246.13

CAS

1208-03-3

Other Names

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

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.17; 475.99]	J/mol×K	[618.70; 831.51]
Cp,gas	411.17	J/mol×K	618.70	Joback Calculated Property
Cp,gas	423.99	J/mol×K	654.17	Joback Calculated Property
Cp,gas	435.94	J/mol×K	689.64	Joback Calculated Property
Cp,gas	447.06	J/mol×K	725.10	Joback Calculated Property
Cp,gas	457.42	J/mol×K	760.57	Joback Calculated Property
Cp,gas	467.04	J/mol×K	796.04	Joback Calculated Property
Cp,gas	475.99	J/mol×K	831.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Bis(2-chloroethyl)aminobenzaldehyde.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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