Chemical Properties of Isophthalic acid, monoamide, N-(3-methylphenyl)-, heptyl ester

Isophthalic acid, monoamide, N-(3-methylphenyl)-, heptyl ester

InChI
InChI=1S/C22H27NO3/c1-3-4-5-6-7-14-26-22(25)19-12-9-11-18(16-19)21(24)23-20-13-8-10-17(2)15-20/h8-13,15-16H,3-7,14H2,1-2H3,(H,23,24)
InChI Key
DULWEOAFDUOKGN-UHFFFAOYSA-N
Formula
C22H27NO3
SMILES
CCCCCCCOC(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1
Molecular Weight1
353.46
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Physical Properties

Property Value Unit Source
ω 1.0070 Relay (1.0) Calculated Property
ΔfusH° 51.11 kJ/mol Joback Calculated Property
IE 8.04 eV Relay (1.0) Calculated Property
log10WS -6.28 Relay (1.0) Calculated Property
logPoct/wat 5.375 Crippen Calculated Property
McVol 292.310 ml/mol McGowan Calculated Property
Pc 1460.13 kPa Joback Calculated Property
Inp [3191.00; 3191.00]   Show Hide
Inp 3191.00 NIST
Inp 3191.00 NIST
Tboil 693.11 K Relay (1.0) Calculated Property
Tc 976.96 K Relay (1.0) Calculated Property
Tfus 361.31 K Relay (1.0) Calculated Property
Vc 1.068 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [919.58; 984.97] J/mol×K [928.54; 1151.61] Show Hide
Cp,gas 919.58 J/mol×K 928.54 Joback Calculated Property
Cp,gas 933.52 J/mol×K 965.72 Joback Calculated Property
Cp,gas 946.16 J/mol×K 1002.90 Joback Calculated Property
Cp,gas 957.56 J/mol×K 1040.07 Joback Calculated Property
Cp,gas 967.79 J/mol×K 1077.25 Joback Calculated Property
Cp,gas 976.91 J/mol×K 1114.43 Joback Calculated Property
Cp,gas 984.97 J/mol×K 1151.61 Joback Calculated Property

Similar Compounds

Isophthalic acid, monoamide, N-(3-methylphenyl)-, isohexyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, octyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, heptyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, nonyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, hexyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, pentyl ester. Isophthalic acid, monoamide, N-(3-methylphenyl)-, isobutyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, isohexyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, octyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, heptyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, hexyl ester. Isophthalic acid, monoamide, N-(2-fluorophenyl)-, butyl ester. Isophthalic acid, monoamide, N-(3-methylphenyl)-, ethyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, isohexyl ester. Isophthalic acid, monoamide, N-(2-chlorophenyl)-, butyl ester.

Find more compounds similar to Isophthalic acid, monoamide, N-(3-methylphenyl)-, heptyl ester.

Sources

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