Chemical Properties of Phthalic acid, 4-chloro-2-methoxybenzyl isobutyl ester

Phthalic acid, 4-chloro-2-methoxybenzyl isobutyl ester

InChI
InChI=1S/C20H21ClO5/c1-13(2)11-25-19(22)16-6-4-5-7-17(16)20(23)26-12-14-8-9-15(21)10-18(14)24-3/h4-10,13H,11-12H2,1-3H3
InChI Key
NZIIXFHKKCLSPD-UHFFFAOYSA-N
Formula
C20H21ClO5
SMILES
COc1cc(Cl)ccc1COC(=O)c1ccccc1C(=O)OCC(C)C
Molecular Weight1
376.84
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Physical Properties

Property Value Unit Source
ΔfusH° 45.07 kJ/mol Joback Calculated Property
log10WS -5.51 Relay (1.0) Calculated Property
logPoct/wat 4.518 Crippen Calculated Property
McVol 278.130 ml/mol McGowan Calculated Property
Inp [2619.00; 2619.00]   Show Hide
Inp 2619.00 NIST
Inp 2619.00 NIST
Tboil 675.83 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [819.96; 870.47] J/mol×K [901.35; 1128.16] Show Hide
Cp,gas 819.96 J/mol×K 901.35 Joback Calculated Property
Cp,gas 832.11 J/mol×K 939.15 Joback Calculated Property
Cp,gas 842.75 J/mol×K 976.95 Joback Calculated Property
Cp,gas 851.89 J/mol×K 1014.75 Joback Calculated Property
Cp,gas 859.55 J/mol×K 1052.56 Joback Calculated Property
Cp,gas 865.74 J/mol×K 1090.36 Joback Calculated Property
Cp,gas 870.47 J/mol×K 1128.16 Joback Calculated Property
η [0.0000261; 0.0003277] Pa×s [527.37; 901.35] Show Hide
η 0.0003277 Pa×s 527.37 Joback Calculated Property
η 0.0001720 Pa×s 589.70 Joback Calculated Property
η 0.0001021 Pa×s 652.03 Joback Calculated Property
η 0.0000664 Pa×s 714.36 Joback Calculated Property
η 0.0000462 Pa×s 776.69 Joback Calculated Property
η 0.0000340 Pa×s 839.02 Joback Calculated Property
η 0.0000261 Pa×s 901.35 Joback Calculated Property

Similar Compounds

Phthalic acid, butyl 4-chloro-2-methoxybenzyl ester. Phthalic acid, isobutyl 2-methoxybenzyl ester. Phthalic acid, 4-chloro-2-methoxybenzyl pentyl ester. Phthalic acid, 4-chloro-2-methoxybenzyl hexyl ester. Phthalic acid, 4-chloro-2-methoxybenzyl decyl ester. Phthalic acid, 4-chloro-2-methoxybenzyl undecyl ester. Phthalic acid, 4-chloro-2-methoxybenzyl heptyl ester. Phthalic acid, 4-chloro-2-methoxybenzyl octyl ester. Phthalic acid, 4-chloro-2-methoxybenzyl dodecyl ester. Phthalic acid, 4-chloro-2-methoxybenzyl nonyl ester. Phthalic acid, 2-methoxybenzyl propyl ester. Phthalic acid, di(4-chloro-2-methoxybenzyl) ester. Phthalic acid, 5-bromo-2-methoxybenzyl isobutyl ester. Phthalic acid, butyl 2-methoxybenzyl ester. Phthalic acid, 2-methoxybenzyl pentyl ester.

Find more compounds similar to Phthalic acid, 4-chloro-2-methoxybenzyl isobutyl ester.

Sources

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