Chemical Properties of Benzoic acid, 4-[3-(2-chloroethyl)ureido]-3,5-dimethyl- (CAS 116465-96-4)

Benzoic acid, 4-[3-(2-chloroethyl)ureido]-3,5-dimethyl-

InChI
InChI=1S/C12H15ClN2O3/c1-7-5-9(11(16)17)6-8(2)10(7)15-12(18)14-4-3-13/h5-6H,3-4H2,1-2H3,(H,16,17)(H2,14,15,18)
InChI Key
VFKPCRRWRRCZNL-UHFFFAOYSA-N
Formula
C12H15ClN2O3
SMILES
Cc1cc(C(=O)O)cc(C)c1NC(=O)NCCCl
Molecular Weight1
270.71
CAS
116465-96-4
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Physical Properties

Property Value Unit Source
ω 0.9655 Relay (1.0) Calculated Property
ΔfG° -94.13 kJ/mol Joback Calculated Property
ΔfH°gas -573.78 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.39 kJ/mol Joback Calculated Property
ΔvapH° 126.60 kJ/mol Relay (1.0) Calculated Property
IE 8.53 eV Relay (1.0) Calculated Property
log10WS -3.07 Relay (1.0) Calculated Property
logPoct/wat 2.362 Crippen Calculated Property
McVol 197.390 ml/mol McGowan Calculated Property
Pc 2838.39 kPa Joback Calculated Property
Tboil 611.43 K Relay (1.0) Calculated Property
Tc 947.39 K Relay (1.0) Calculated Property
Tfus 473.27 K Relay (1.0) Calculated Property
Vc 0.667 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [554.81; 601.17] J/mol×K [853.27; 1064.45] Show Hide
Cp,gas 554.81 J/mol×K 853.27 Joback Calculated Property
Cp,gas 564.25 J/mol×K 888.47 Joback Calculated Property
Cp,gas 572.98 J/mol×K 923.66 Joback Calculated Property
Cp,gas 581.00 J/mol×K 958.86 Joback Calculated Property
Cp,gas 588.35 J/mol×K 994.06 Joback Calculated Property
Cp,gas 595.07 J/mol×K 1029.26 Joback Calculated Property
Cp,gas 601.17 J/mol×K 1064.45 Joback Calculated Property

Similar Compounds

Benzoic acid, 4-[3-(2-chloroethyl)-3-nitrosoureido]-3,5-dimethyl-. Anthranilic acid, n-[(chloroethyl)carbamoyl]-. Benzoic acid, m-[3-(2-chloroethyl)ureido]-. Fominoben. Urea, 1-(2-chloroethyl)-3-mesityl-1-nitroso-. 2-Amino-1-propanol, ferrocenylboronate. Shinflavanone. 3-Ethyl-2-isopropyl-3,5-dimethyl-1,4,2-diazaphosphorine-2-oxide. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. 7-acetyl-9-curassavoylheliotridine. 5-Hydroxytryptophan, methyl, 3-PFP. Metergoline. narwedine. Metopon. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane.

Find more compounds similar to Benzoic acid, 4-[3-(2-chloroethyl)ureido]-3,5-dimethyl-.

Sources

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