Chemical Properties of Succinic acid, 4-chloro-2-methylbenzyl isobutyl ester

Succinic acid, 4-chloro-2-methylbenzyl isobutyl ester

InChI
InChI=1S/C16H21ClO4/c1-11(2)9-20-15(18)6-7-16(19)21-10-13-4-5-14(17)8-12(13)3/h4-5,8,11H,6-7,9-10H2,1-3H3
InChI Key
HBOAPSJXKWSMJI-UHFFFAOYSA-N
Formula
C16H21ClO4
SMILES
Cc1cc(Cl)ccc1COC(=O)CCC(=O)OCC(C)C
Molecular Weight1
312.79
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Physical Properties

Property Value Unit Source
ΔfH°gas -791.11 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.87 kJ/mol Joback Calculated Property
ΔvapH° 91.62 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.671 Crippen Calculated Property
McVol 239.660 ml/mol McGowan Calculated Property
Pc 1636.45 kPa Joback Calculated Property
Inp [2184.00; 2184.00]   Show Hide
Inp 2184.00 NIST
Inp 2184.00 NIST
Tboil 618.21 K Relay (1.0) Calculated Property
Tc 814.53 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [664.97; 735.92] J/mol×K [755.75; 960.87] Show Hide
Cp,gas 664.97 J/mol×K 755.75 Joback Calculated Property
Cp,gas 679.45 J/mol×K 789.94 Joback Calculated Property
Cp,gas 692.85 J/mol×K 824.12 Joback Calculated Property
Cp,gas 705.19 J/mol×K 858.31 Joback Calculated Property
Cp,gas 716.47 J/mol×K 892.49 Joback Calculated Property
Cp,gas 726.71 J/mol×K 926.68 Joback Calculated Property
Cp,gas 735.92 J/mol×K 960.87 Joback Calculated Property
η [0.0000602; 0.0010697] Pa×s [421.12; 755.75] Show Hide
η 0.0010697 Pa×s 421.12 Joback Calculated Property
η 0.0005003 Pa×s 476.89 Joback Calculated Property
η 0.0002744 Pa×s 532.66 Joback Calculated Property
η 0.0001686 Pa×s 588.44 Joback Calculated Property
η 0.0001127 Pa×s 644.21 Joback Calculated Property
η 0.0000804 Pa×s 699.98 Joback Calculated Property
η 0.0000602 Pa×s 755.75 Joback Calculated Property

Similar Compounds

Succinic acid, 4-chloro-2-methylbenzyl propyl ester. Sebacic acid, 4-chloro-2-methylbenzyl isobutyl ester. Succinic acid, butyl 4-chloro-2-methylbenzyl ester. Succinic acid, isobutyl 2-methylbenzyl ester. Succinic acid, 4-chloro-2-methylbenzyl pentyl ester. Succinic acid, di(4-chloro-2-methylbenzyl) ester. Sebacic acid, 4-chloro-2-methylbenzyl propyl ester. Sebacic acid, butyl 4-chloro-2-methylbenzyl ester. Sebacic acid, 4-chloro-2-methylbenzyl pentyl ester. Sebacic acid, 4-chloro-2-methylbenzyl nonyl ester. Sebacic acid, 4-chloro-2-methylbenzyl decyl ester. Sebacic acid, 4-chloro-2-methylbenzyl octyl ester. Sebacic acid, 4-chloro-2-methylbenzyl 2-methylhex-3-yl ester. Sebacic acid, isobutyl 2-methylbenzyl ester. Succinic acid, 2-methylbenzyl propyl ester.

Find more compounds similar to Succinic acid, 4-chloro-2-methylbenzyl isobutyl ester.

Sources

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