Chemical Properties of Aniline mustard (CAS 553-27-5)

InChI

InChI=1S/C10H13Cl2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2

InChI Key

ROSJKFFLIXTTAW-UHFFFAOYSA-N

Formula

C10H13Cl2N

SMILES

ClCCN(CCCl)c1ccccc1

Molecular Weight¹

218.12

CAS

553-27-5

Other Names

• Benzenamine, N,N-bis(2-chloroethyl)-
• Aniline, N,N-bis(2-chloroethyl)-
• N,N-Bis(2-chloroethyl)aniline
• «beta»,«beta»'-Dichlorodiethylaniline
• N,N-Di(2-chloroethyl)aniline
• Lymphochin
• Lymphocin
• Lymphoquin
• NCS-18429
• A 14489
• CB 1074
• Lymphchin
• Lymphoquine
• Mesylerythrol
• NSC-18429
• SK 592
• TL 476
• Anilinlost
• N,N-Bis(2-chloroethyl)benzenamine

• 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_boilr : Boiling point at reduced pressure (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	[346.78; 418.72]	J/mol×K	[542.18; 754.71]
Cp,gas	346.78	J/mol×K	542.18	Joback Calculated Property
Cp,gas	360.97	J/mol×K	577.60	Joback Calculated Property
Cp,gas	374.22	J/mol×K	613.02	Joback Calculated Property
Cp,gas	386.56	J/mol×K	648.44	Joback Calculated Property
Cp,gas	398.06	J/mol×K	683.86	Joback Calculated Property
Cp,gas	408.77	J/mol×K	719.29	Joback Calculated Property
Cp,gas	418.72	J/mol×K	754.71	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[437.00; 442.00]	K	[1.90; 2.10]
Tboilr	437.00	K	1.90	NIST
Tboilr	442.00 ± 1.00	K	2.10	NIST

Similar Compounds

Find more compounds similar to Aniline mustard.

Sources

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

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