Chemical Properties of 4-N,N-Bis(2-chloroethyl)amino-2-tolualdehyde (CAS 26459-95-0)

InChI

InChI=1S/C12H15Cl2NO/c1-10-8-12(3-2-11(10)9-16)15(6-4-13)7-5-14/h2-3,8-9H,4-7H2,1H3

InChI Key

ZQIAXDULHBLZJE-UHFFFAOYSA-N

Formula

C12H15Cl2NO

SMILES

Cc1cc(N(CCCl)CCCl)ccc1C=O

Molecular Weight¹

260.16

CAS

26459-95-0

Other Names

• o-Tolualdehyde, 4-(bis(2-chloroethyl)amino)-
• Benzaldehyde, 4-[bis(2-chloroethyl)amino]-2-methyl-

• 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	[459.44; 526.92]	J/mol×K	[646.56; 856.87]
Cp,gas	459.44	J/mol×K	646.56	Joback Calculated Property
Cp,gas	472.66	J/mol×K	681.61	Joback Calculated Property
Cp,gas	485.04	J/mol×K	716.66	Joback Calculated Property
Cp,gas	496.61	J/mol×K	751.72	Joback Calculated Property
Cp,gas	507.42	J/mol×K	786.77	Joback Calculated Property
Cp,gas	517.51	J/mol×K	821.82	Joback Calculated Property
Cp,gas	526.92	J/mol×K	856.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-N,N-Bis(2-chloroethyl)amino-2-tolualdehyde.

Sources

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

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