Chemical Properties of Carbanilic acid, n-tert-butyl-, ethyl ester

Carbanilic acid, n-tert-butyl-, ethyl ester

InChI
InChI=1S/C13H19NO2/c1-5-16-12(15)14(13(2,3)4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3
InChI Key
QXIJEOZQDPTADP-UHFFFAOYSA-N
Formula
C13H19NO2
SMILES
CCOC(=O)N(c1ccccc1)C(C)(C)C
Molecular Weight1
221.30
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Physical Properties

Property Value Unit Source
ω 0.5785 Relay (1.0) Calculated Property
ΔfH°gas -371.72 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.44 kJ/mol Joback Calculated Property
ΔvapH° 78.42 kJ/mol Relay (1.0) Calculated Property
IE 8.05 eV Relay (1.0) Calculated Property
log10WS -3.10 Relay (1.0) Calculated Property
logPoct/wat 3.448 Crippen Calculated Property
McVol 187.690 ml/mol McGowan Calculated Property
Pc 2239.76 kPa Joback Calculated Property
Tboil 557.68 K Relay (1.0) Calculated Property
Tc 765.36 K Relay (1.0) Calculated Property
Tfus 292.80 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [254.39; 619.09] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-5.25890e+01
Coefficient B1.35488e+00
Coefficient C-9.04400e-04
Coefficient D2.21200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 254.39 J/mol×K 273.00 Calculated Property
Cp,gas 323.34 J/mol×K 353.78 Calculated Property
Cp,gas 383.55 J/mol×K 434.56 Calculated Property
Cp,gas 435.72 J/mol×K 515.33 Calculated Property
Cp,gas 480.55 J/mol×K 596.11 Calculated Property
Cp,gas 518.74 J/mol×K 676.89 Calculated Property
Cp,gas 550.99 J/mol×K 757.67 Calculated Property
Cp,gas 578.00 J/mol×K 838.44 Calculated Property
Cp,gas 600.47 J/mol×K 919.22 Calculated Property
Cp,gas 619.09 J/mol×K 1000.00 Calculated Property

Similar Compounds

Carbanilic acid, n-tert-butyl-, beta-chloroethyl ester. 3-Phenyl-2-oxazolidinone. Carbamic acid, methylphenyl-, ethyl ester. Acetanilide, n-tert-butyl-. Carbanilic acid, n-methyl, isopropyl ester. Acetanilide, n-tert-butyl-3-chloro-. 5-Phenoxymethyl-3-phenyl-2-oxazolidone. 1(2H)-Quinolinecarboxylic acid, 2-cyano-, ethyl ester. Carbanilic acid, 2-tert-butyl-, ethyl ester. Acetanilide, n,4-ditertiary butyl-. Bamipine. Desmethylclomipramine. Norbamipine, acetylated. Acetamide, N-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-. Bamipine, nor-hydroxy, acetylated.

Find more compounds similar to Carbanilic acid, n-tert-butyl-, ethyl ester.

Sources

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