Chemical Properties of Isophthalic acid, monoamide, N-(2-chlorophenyl)-, propyl ester

Isophthalic acid, monoamide, N-(2-chlorophenyl)-, propyl ester

InChI
InChI=1S/C17H16ClNO3/c1-2-10-22-17(21)13-7-5-6-12(11-13)16(20)19-15-9-4-3-8-14(15)18/h3-9,11H,2,10H2,1H3,(H,19,20)
InChI Key
JPUUSDPKYMEQIU-UHFFFAOYSA-N
Formula
C17H16ClNO3
SMILES
CCCOC(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1
Molecular Weight1
317.77
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Physical Properties

Property Value Unit Source
ω 0.8097 Relay (1.0) Calculated Property
ΔfusH° 42.35 kJ/mol Joback Calculated Property
IE 8.35 eV Relay (1.0) Calculated Property
log10WS -5.17 Relay (1.0) Calculated Property
logPoct/wat 4.159 Crippen Calculated Property
McVol 234.100 ml/mol McGowan Calculated Property
Pc 2115.83 kPa Joback Calculated Property
Inp [2718.00; 2718.00]   Show Hide
Inp 2718.00 NIST
Inp 2718.00 NIST
Tboil 654.99 K Relay (1.0) Calculated Property
Tc 957.22 K Relay (1.0) Calculated Property
Tfus 377.96 K Relay (1.0) Calculated Property
Vc 0.837 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [303.55; 695.53] 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-7.32800e+00
Coefficient B1.34222e+00
Coefficient C-7.85020e-04
Coefficient D1.45660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 303.55 J/mol×K 273.00 Calculated Property
Cp,gas 375.72 J/mol×K 353.78 Calculated Property
Cp,gas 439.65 J/mol×K 434.56 Calculated Property
Cp,gas 495.82 J/mol×K 515.33 Calculated Property
Cp,gas 544.68 J/mol×K 596.11 Calculated Property
Cp,gas 586.70 J/mol×K 676.89 Calculated Property
Cp,gas 622.33 J/mol×K 757.67 Calculated Property
Cp,gas 652.04 J/mol×K 838.44 Calculated Property
Cp,gas 676.29 J/mol×K 919.22 Calculated Property
Cp,gas 695.53 J/mol×K 1000.00 Calculated Property

Similar Compounds

Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isobutyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, butyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, ethyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, hexyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, heptyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, octyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isohexyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, propyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, isobutyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, butyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, pentyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, heptyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, octyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, hexyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, nonyl ester.

Find more compounds similar to Isophthalic acid, monoamide, N-(2-chlorophenyl)-, propyl ester.

Sources

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