Chemical Properties of Benzoic acid, p-[n-(3-chloro-2-hydroxypropyl)acetamido]-, ethyl ester

Benzoic acid, p-[n-(3-chloro-2-hydroxypropyl)acetamido]-, ethyl ester

InChI
InChI=1S/C14H18ClNO4/c1-3-20-14(19)11-4-6-12(7-5-11)16(10(2)17)9-13(18)8-15/h4-7,13,18H,3,8-9H2,1-2H3
InChI Key
JNYXBBCQPHLTGN-UHFFFAOYSA-N
Formula
C14H18ClNO4
SMILES
CCOC(=O)c1ccc(N(CC(O)CCl)C(C)=O)cc1
Molecular Weight1
299.75
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Physical Properties

Property Value Unit Source
ω 0.9039 Relay (1.0) Calculated Property
ΔfusH° 39.42 kJ/mol Joback Calculated Property
ΔvapH° 104.67 kJ/mol Relay (1.0) Calculated Property
IE 8.88 eV Relay (1.0) Calculated Property
log10WS -2.01 Relay (1.0) Calculated Property
logPoct/wat 1.816 Crippen Calculated Property
McVol 221.460 ml/mol McGowan Calculated Property
Pc 2231.30 kPa Joback Calculated Property
Tboil 634.41 K Relay (1.0) Calculated Property
Tc 877.73 K Relay (1.0) Calculated Property
Tfus 350.95 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [628.74; 684.21] J/mol×K [805.28; 1007.44] Show Hide
Cp,gas 628.74 J/mol×K 805.28 Joback Calculated Property
Cp,gas 640.09 J/mol×K 838.97 Joback Calculated Property
Cp,gas 650.54 J/mol×K 872.67 Joback Calculated Property
Cp,gas 660.15 J/mol×K 906.36 Joback Calculated Property
Cp,gas 668.94 J/mol×K 940.06 Joback Calculated Property
Cp,gas 676.95 J/mol×K 973.75 Joback Calculated Property
Cp,gas 684.21 J/mol×K 1007.44 Joback Calculated Property

Similar Compounds

DILTIAZEM, M(DESAMINO-HO-), AC. DILTIAZEM, M(O-DESMETHYL-DESAMINO-HO-), AC. Diltiazem. DILTIAZEM, M(ODESMETHYL-), AC. 2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate. Mirtazapine-M (HO-) AC. Mirtazapine-M (nor-HO-) 2AC. Mirtazapine-M (nor-HO-methoxy-) 2AC. N-Acetylnornarcotine. 11-Ketoestradiol (enol), TMS. Hydrastine. cefuroxime acid. Noscapine. Zinc octaethylporphyrin chloride. Benazepril Me.

Find more compounds similar to Benzoic acid, p-[n-(3-chloro-2-hydroxypropyl)acetamido]-, ethyl ester.

Sources

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