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

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

InChI
InChI=1S/C18H27NO3/c1-4-5-11-19-17(20)15-9-6-10-16(13-15)18(21)22-12-7-8-14(2)3/h6,9-10,13-14H,4-5,7-8,11-12H2,1-3H3,(H,19,20)
InChI Key
IXGZPTZANLUORU-UHFFFAOYSA-N
Formula
C18H27NO3
SMILES
CCCCN=C(O)c1cccc(C(=O)OCCCC(C)C)c1
Molecular Weight1
305.41
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Physical Properties

Property Value Unit Source
ω 1.0251 Relay (1.0) Calculated Property
log10WS -4.76 Relay (1.0) Calculated Property
logPoct/wat 4.384 Crippen Calculated Property
McVol 259.710 ml/mol McGowan Calculated Property
Pc 1497.67 kPa Joback Calculated Property
Inp [2538.00; 2538.00]   Show Hide
Inp 2538.00 NIST
Inp 2538.00 NIST
Tboil 645.82 K Relay (1.0) Calculated Property
Tc 859.23 K Relay (1.0) Calculated Property
Tfus 344.26 K Relay (1.0) Calculated Property
Vc 0.947 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.

Similar Compounds

Isophthalic acid, monoamide, N-butyl-, hexyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, isohexyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, hexyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, heptyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, pentyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, butyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, propyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, isobutyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, ethyl ester. N-2-(1-benzoxy) pentylbenzamide. 13«alpha»-Benzoyloxylupanine. Aconitine. Benzoylnorecgonine, trimethylsilyl ester. 1-Methyl-4-piperidyl cyclopentylphenylglycolate. 13-Benzoyloxy-17-oxolupanine.

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

Sources

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