Chemical Properties of Isophthalic acid, monoamide, N,N-diheptyl-, isobutyl ester

Isophthalic acid, monoamide, N,N-diheptyl-, isobutyl ester

InChI
InChI=1S/C26H43NO3/c1-5-7-9-11-13-18-27(19-14-12-10-8-6-2)25(28)23-16-15-17-24(20-23)26(29)30-21-22(3)4/h15-17,20,22H,5-14,18-19,21H2,1-4H3
InChI Key
QPFSHALLEYQUPX-UHFFFAOYSA-N
Formula
C26H43NO3
SMILES
CCCCCCCN(CCCCCCC)C(=O)c1cccc(C(=O)OCC(C)C)c1
Molecular Weight1
417.62
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Physical Properties

Property Value Unit Source
ΔfusH° 62.21 kJ/mol Joback Calculated Property
log10WS -6.91 Relay (1.0) Calculated Property
logPoct/wat 6.882 Crippen Calculated Property
McVol 372.430 ml/mol McGowan Calculated Property
Pc 905.06 kPa Joback Calculated Property
Inp [3048.00; 3048.00]   Show Hide
Inp 3048.00 NIST
Inp 3048.00 NIST
Tboil 691.55 K Relay (1.0) Calculated Property
Tfus 305.38 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [534.79; 1274.82] 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-1.99570e+01
Coefficient B2.38248e+00
Coefficient C-1.35726e-03
Coefficient D2.69560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 534.79 J/mol×K 273.00 Calculated Property
Cp,gas 664.97 J/mol×K 353.78 Calculated Property
Cp,gas 781.18 J/mol×K 434.56 Calculated Property
Cp,gas 884.26 J/mol×K 515.33 Calculated Property
Cp,gas 975.07 J/mol×K 596.11 Calculated Property
Cp,gas 1054.45 J/mol×K 676.89 Calculated Property
Cp,gas 1123.27 J/mol×K 757.67 Calculated Property
Cp,gas 1182.36 J/mol×K 838.44 Calculated Property
Cp,gas 1232.60 J/mol×K 919.22 Calculated Property
Cp,gas 1274.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

Isophthalic acid, monoamide, N,N-diheptyl-, propyl ester. Isophthalic acid, monoamide, N,N-diheptyl-, butyl ester. Isophthalic acid, monoamide, N,N-diheptyl-, hexyl ester. Isophthalic acid, monoamide, N,N-diheptyl-, pentyl ester. Isophthalic acid, monoamide, N,N-diheptyl-, heptyl ester. Isophthalic acid, monoamide, N,N-diheptyl-, nonyl ester. Isophthalic acid, monoamide, N,N-diheptyl-, octyl ester. Isophthalic acid, monoamide, N,N-diheptyl-, ethyl ester. Isophthalic acid, monoamide, N,N-diheptyl-, isohexyl ester. Isophthalic acid, monoamide, N,N-diisobutyl-, decyl ester. Isophthalic acid, monoamide, N,N-diisobutyl-, nonyl ester. Isophthalic acid, monoamide, N,N-diisobutyl-, octyl ester. Isophthalic acid, monoamide, N,N-diisobutyl-, undecyl ester. Isophthalic acid, monoamide, N,N-diisobutyl-, dodecyl ester. Isophthalic acid, monoamide, N,N-diisobutyl-, hexyl ester.

Find more compounds similar to Isophthalic acid, monoamide, N,N-diheptyl-, isobutyl ester.

Sources

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