Chemical Properties of Pimelic acid, 2-chlorophenyl 4-methyl-2-pentyl ester

Pimelic acid, 2-chlorophenyl 4-methyl-2-pentyl ester

InChI
InChI=1S/C19H27ClO4/c1-14(2)13-15(3)23-18(21)11-5-4-6-12-19(22)24-17-10-8-7-9-16(17)20/h7-10,14-15H,4-6,11-13H2,1-3H3
InChI Key
BYXRTOPGNFLPLV-UHFFFAOYSA-N
Formula
C19H27ClO4
SMILES
CC(C)CC(C)OC(=O)CCCCCC(=O)Oc1ccccc1Cl
Molecular Weight1
354.87
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Physical Properties

Property Value Unit Source
ΔfusH° 44.51 kJ/mol Joback Calculated Property
IE 8.61 eV Relay (1.0) Calculated Property
log10WS -5.06 Relay (1.0) Calculated Property
logPoct/wat 5.174 Crippen Calculated Property
McVol 281.930 ml/mol McGowan Calculated Property
Inp [2434.00; 2434.00]   Show Hide
Inp 2434.00 NIST
Inp 2434.00 NIST
Tboil 612.97 K Relay (1.0) Calculated Property
Tfus 297.63 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [835.60; 909.71] J/mol×K [818.97; 1022.49] Show Hide
Cp,gas 835.60 J/mol×K 818.97 Joback Calculated Property
Cp,gas 850.93 J/mol×K 852.89 Joback Calculated Property
Cp,gas 865.03 J/mol×K 886.81 Joback Calculated Property
Cp,gas 877.93 J/mol×K 920.73 Joback Calculated Property
Cp,gas 889.66 J/mol×K 954.65 Joback Calculated Property
Cp,gas 900.24 J/mol×K 988.57 Joback Calculated Property
Cp,gas 909.71 J/mol×K 1022.49 Joback Calculated Property
η [0.0000356; 0.0011529] Pa×s [427.41; 818.97] Show Hide
η 0.0011529 Pa×s 427.41 Joback Calculated Property
η 0.0004400 Pa×s 492.67 Joback Calculated Property
η 0.0002104 Pa×s 557.93 Joback Calculated Property
η 0.0001174 Pa×s 623.19 Joback Calculated Property
η 0.0000732 Pa×s 688.45 Joback Calculated Property
η 0.0000495 Pa×s 753.71 Joback Calculated Property
η 0.0000356 Pa×s 818.97 Joback Calculated Property

Similar Compounds

Pimelic acid, 2,6-dichlorophenyl 4-methyl-2-pentyl ester. Pimelic acid, 3-chlorophenyl 4-methyl-2-pentyl ester. Pimelic acid, 4-chlorophenyl 4-methyl-2-pentyl ester. Glutaric acid, 2,3-dichlorophenyl 4-methylpent-2-yl ester. Pimelic acid, 3,4-dichlorophenyl 4-methyl-2-pentyl ester. Glutaric acid, 3-chlorophenyl 4-methylpent-2-yl ester. Pimelic acid, 4-methyl-2-pentyl 2-naphthyl ester. Glutaric acid, 2-methylpent-3-yl 2-chlorophenyl ester. Succinic acid, 2,3-dichlorophenyl 4-methylpent-2-yl ester. Pimelic acid, 4-methyl-2-pentyl 1-naphthyl ester. Sebacic acid, 2-chlorophenyl isohexyl ester. Glutaric acid, hept-2-yl 2,4-dichlorophenyl ester. Succinic acid, 3-chlorophenyl 4-methylpent-2-yl ester. Succinic acid, 2-chlorophenyl 2-octyl ester. Succinic acid, hept-2-yl 2-chlorophenyl ester.

Find more compounds similar to Pimelic acid, 2-chlorophenyl 4-methyl-2-pentyl ester.

Sources

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