Chemical Properties of Pimelic acid, 5-chloro-2-nitrobenzyl 4-methyl-2-pentyl ester

Pimelic acid, 5-chloro-2-nitrobenzyl 4-methyl-2-pentyl ester

InChI
InChI=1S/C20H28ClNO6/c1-14(2)11-15(3)28-20(24)8-6-4-5-7-19(23)27-13-16-12-17(21)9-10-18(16)22(25)26/h9-10,12,14-15H,4-8,11,13H2,1-3H3
InChI Key
VGYKYVHGHNLMEZ-UHFFFAOYSA-N
Formula
C20H28ClNO6
SMILES
CC(C)CC(C)OC(=O)CCCCCC(=O)OCc1cc(Cl)ccc1[N+](=O)[O-]
Molecular Weight1
413.90
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Physical Properties

Property Value Unit Source
ΔfusH° 58.07 kJ/mol Joback Calculated Property
logPoct/wat 5.220 Crippen Calculated Property
McVol 313.440 ml/mol McGowan Calculated Property
Inp [2835.00; 2835.00]   Show Hide
Inp 2835.00 NIST
Inp 2835.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [450.22; 998.34] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.52370e+01
Coefficient B1.71432e+00
Coefficient C-8.77320e-04
Coefficient D1.16100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 450.22 J/mol×K 273.00 Calculated Property
Cp,gas 547.06 J/mol×K 353.78 Calculated Property
Cp,gas 634.06 J/mol×K 434.56 Calculated Property
Cp,gas 711.58 J/mol×K 515.33 Calculated Property
Cp,gas 780.00 J/mol×K 596.11 Calculated Property
Cp,gas 839.68 J/mol×K 676.89 Calculated Property
Cp,gas 890.98 J/mol×K 757.67 Calculated Property
Cp,gas 934.28 J/mol×K 838.44 Calculated Property
Cp,gas 969.95 J/mol×K 919.22 Calculated Property
Cp,gas 998.34 J/mol×K 1000.00 Calculated Property

Similar Compounds

Pimelic acid, 5-chloro-2-nitrobenzyl isobutyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl hexyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl pentyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl heptyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl octyl ester. Pimelic acid, butyl 5-chloro-2-nitrobenzyl ester. Glutaric acid, 2-methylhex-3-yl 2-nitro-3-chlorobenzyl ester. Pimelic acid, 5-chloro-2-nitrobenzyl propyl ester. Succinic acid, 2-methylhex-3-yl 2-nitrobenzyl ester. Succinic acid, 4-chloro-2-nitrobenzyl 2-methylhex-3-yl ester. N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 2). N-Acetyl-D-glucosamine, tetrakis(trimethylsilyl) ether (isomer 1). Betamethasone tetra-TMS. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. guanosine-2'(3')-monophosphate, TMS.

Find more compounds similar to Pimelic acid, 5-chloro-2-nitrobenzyl 4-methyl-2-pentyl ester.

Sources

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