Chemical Properties of Isophthalic acid, monoamide, N,N-diisobutyl-, isohexyl ester

Isophthalic acid, monoamide, N,N-diisobutyl-, isohexyl ester

InChI
InChI=1S/C22H35NO3/c1-16(2)9-8-12-26-22(25)20-11-7-10-19(13-20)21(24)23(14-17(3)4)15-18(5)6/h7,10-11,13,16-18H,8-9,12,14-15H2,1-6H3
InChI Key
INOODSYHEDROCB-UHFFFAOYSA-N
Formula
C22H35NO3
SMILES
CC(C)CCCOC(=O)c1cccc(C(=O)N(CC(C)C)CC(C)C)c1
Molecular Weight1
361.53
Other Names
  • Isophthalic acid, monoamide, N-diisobutyl-, isohexyl ester
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Physical Properties

Property Value Unit Source
ω 0.9437 Relay (1.0) Calculated Property
ΔfusH° 44.81 kJ/mol Joback Calculated Property
log10WS -5.87 Relay (1.0) Calculated Property
logPoct/wat 5.034 Crippen Calculated Property
McVol 316.070 ml/mol McGowan Calculated Property
Pc 1169.62 kPa Joback Calculated Property
Inp [2582.00; 2582.00]   Show Hide
Inp 2582.00 NIST
Inp 2582.00 NIST
Tboil 651.28 K Relay (1.0) Calculated Property
Tc 858.09 K Relay (1.0) Calculated Property
Tfus 324.23 K Relay (1.0) Calculated Property
Vc 1.158 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1004.39; 1091.18] J/mol×K [857.83; 1060.70] Show Hide
Cp,gas 1004.39 J/mol×K 857.83 Joback Calculated Property
Cp,gas 1021.85 J/mol×K 891.64 Joback Calculated Property
Cp,gas 1038.05 J/mol×K 925.45 Joback Calculated Property
Cp,gas 1053.03 J/mol×K 959.26 Joback Calculated Property
Cp,gas 1066.84 J/mol×K 993.07 Joback Calculated Property
Cp,gas 1079.54 J/mol×K 1026.89 Joback Calculated Property
Cp,gas 1091.18 J/mol×K 1060.70 Joback Calculated Property

Similar Compounds

Isophthalic acid, monoamide, N,N-diisobutyl-, hexyl ester. Isophthalic acid, monoamide, N,N-diisobutyl-, decyl ester. Isophthalic acid, monoamide, N,N-diisobutyl-, dodecyl 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-, pentyl ester. Isophthalic acid, monoamide, N,N-diisobutyl-, butyl ester. Isophthalic acid, monoamide, N,N-diheptyl-, isohexyl ester. Isophthalic acid, monoamide, N,N-diheptyl-, pentyl ester. Isophthalic acid, monoamide, N,N-diheptyl-, hexyl 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-, butyl ester.

Find more compounds similar to Isophthalic acid, monoamide, N,N-diisobutyl-, isohexyl ester.

Sources

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