Chemical Properties of p-N,N-Bis(2-chloroethyl)aminobenzoic acid (CAS 1141-37-3)

p-N,N-Bis(2-chloroethyl)aminobenzoic acid

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InChI
InChI=1S/C11H13Cl2NO2/c12-5-7-14(8-6-13)10-3-1-9(2-4-10)11(15)16/h1-4H,5-8H2,(H,15,16)
InChI Key
PCLQMXVMRDPVKX-UHFFFAOYSA-N
Formula
C11H13Cl2NO2
SMILES
O=C(O)c1ccc(N(CCCl)CCCl)cc1
Molecular Weight1
262.13
CAS
1141-37-3
Other Names
  • Benzoic acid nitrogen mustard
  • Benzoic acid, p-(bis(2-chloroethyl)amino)-
  • Benzoic acid, 4-(bis(2-chloroethyl)amino)-
  • 4-(Bis(2-chloroethyl)amino)benzoic acid
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Physical Properties

Property Value Unit Source
Δf -34.30 kJ/mol Joback Calculated Property
Δfgas -274.07 kJ/mol Joback Calculated Property
Δfus 35.00 kJ/mol Joback Calculated Property
Δvap 77.26 kJ/mol Joback Calculated Property
log10WS -2.58 Crippen Calculated Property
logPoct/wat 2.669 Crippen Calculated Property
McVol 183.990 ml/mol McGowan Calculated Property
Pc 2832.35 kPa Joback Calculated Property
Tboil 716.09 K Joback Calculated Property
Tc 919.73 K Joback Calculated Property
Tfus 455.73 K Joback Calculated Property
Vc 0.684 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [459.58; 512.22] J/mol×K [716.09; 919.73] Show Hide
Cp,gas 459.58 J/mol×K 716.09 Joback Calculated Property
Cp,gas 469.98 J/mol×K 750.03 Joback Calculated Property
Cp,gas 479.68 J/mol×K 783.97 Joback Calculated Property
Cp,gas 488.71 J/mol×K 817.91 Joback Calculated Property
Cp,gas 497.11 J/mol×K 851.85 Joback Calculated Property
Cp,gas 504.93 J/mol×K 885.79 Joback Calculated Property
Cp,gas 512.22 J/mol×K 919.73 Joback Calculated Property

Similar Compounds

4-(Diethylamino)benzoic acid. 4-Bis(2-chloroethyl)aminobenzaldehyde. p-([2-Chloroethyl]ethylamino)benzaldehyde. Aniline mustard. Benzoic acid, 4-(diethylamino)-, methyl ester. 4-N,N-Bis(2-chloroethyl)amino-2-tolualdehyde. chlornaphazine. Benzoic acid, 4-diethylamino-, ethyl ester. Benzaldehyde, 4-(diethylamino)-. p-Diethylaminoacetophenone. Benzoic acid, 4-(dipropylamino)-, methyl ester. Benzoic acid, 3-(diethylamino)-, methyl ester. Propyl red. Methanone, bis[4-(diethylamino)phenyl]-. Ethyl p-bis(2-hydroxyethyl)aminobenzoate.

Find more compounds similar to p-N,N-Bis(2-chloroethyl)aminobenzoic acid.

Sources

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