Chemical Properties of Benzoic acid, 4-diethylamino-, ethyl ester

Benzoic acid, 4-diethylamino-, ethyl ester

InChI
InChI=1S/C13H19NO2/c1-4-14(5-2)12-9-7-11(8-10-12)13(15)16-6-3/h7-10H,4-6H2,1-3H3
InChI Key
XPKFLEVLLPKCIW-UHFFFAOYSA-N
Formula
C13H19NO2
SMILES
CCOC(=O)c1ccc(N(CC)CC)cc1
Molecular Weight1
221.30
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Physical Properties

Property Value Unit Source
ω 0.6672 Relay (1.0) Calculated Property
ΔfH°gas -370.01 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.47 kJ/mol Joback Calculated Property
ΔvapH° 81.73 kJ/mol Relay (1.0) Calculated Property
IE 7.27 eV Relay (1.0) Calculated Property
log10WS -3.77 Relay (1.0) Calculated Property
logPoct/wat 2.710 Crippen Calculated Property
McVol 187.690 ml/mol McGowan Calculated Property
Pc 2169.38 kPa Joback Calculated Property
Inp 1873.00 NIST
Tboil 571.77 K Relay (1.0) Calculated Property
Tc 766.99 K Relay (1.0) Calculated Property
Tfus 311.65 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 [474.86; 559.01] J/mol×K [599.36; 798.40] Show Hide
Cp,gas 474.86 J/mol×K 599.36 Joback Calculated Property
Cp,gas 491.16 J/mol×K 632.53 Joback Calculated Property
Cp,gas 506.51 J/mol×K 665.71 Joback Calculated Property
Cp,gas 520.95 J/mol×K 698.88 Joback Calculated Property
Cp,gas 534.49 J/mol×K 732.05 Joback Calculated Property
Cp,gas 547.17 J/mol×K 765.22 Joback Calculated Property
Cp,gas 559.01 J/mol×K 798.40 Joback Calculated Property

Similar Compounds

Benzoic acid, 4-(diethylamino)-, methyl ester. Benzoic acid, 3-diethylamino-, ethyl ester. Ethyl p-bis(2-hydroxyethyl)aminobenzoate. Benzoic acid, 3-(diethylamino)-, methyl ester. 4-(Diethylamino)benzoic acid. Parbenate. Benzoic acid, 4-(dipropylamino)-, methyl ester. Benzoic acid, 4-ethylamino-, ethyl ester. 2-(Ethyl(m-tolyl)amino)ethyl 3-chlorobenzoate. Benzoic acid, 4-di(3-methylbutyl)amino-, methyl ester. Benzoic acid, 3-(dipropylamino)-, methyl ester. Benzaldehyde, 4-(diethylamino)-. Methanone, bis[4-(diethylamino)phenyl]-. p-N,N-Bis(2-chloroethyl)aminobenzoic acid. Benzoic acid, 4-di(3-methylbutyl)amino-, 3-methylbutyl ester.

Find more compounds similar to Benzoic acid, 4-diethylamino-, ethyl ester.

Sources

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