Chemical Properties of Diethylmalonic acid, hept-4-yl isobutyl ester

Diethylmalonic acid, hept-4-yl isobutyl ester

InChI
InChI=1S/C18H34O4/c1-7-11-15(12-8-2)22-17(20)18(9-3,10-4)16(19)21-13-14(5)6/h14-15H,7-13H2,1-6H3
InChI Key
WNYHXSKLBUERJL-UHFFFAOYSA-N
Formula
C18H34O4
SMILES
CCCC(CCC)OC(=O)C(CC)(CC)C(=O)OCC(C)C
Molecular Weight1
314.46
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Physical Properties

Property Value Unit Source
ΔfH°gas -1038.29 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.65 kJ/mol Joback Calculated Property
ΔvapH° 83.04 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.504 Crippen Calculated Property
McVol 279.360 ml/mol McGowan Calculated Property
Pc 1188.24 kPa Joback Calculated Property
Inp [1719.00; 1719.00]   Show Hide
Inp 1719.00 NIST
Inp 1719.00 NIST
Tboil 565.90 K Relay (1.0) Calculated Property
Tc 746.82 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 [836.09; 930.74] J/mol×K [723.77; 904.79] Show Hide
Cp,gas 836.09 J/mol×K 723.77 Joback Calculated Property
Cp,gas 854.43 J/mol×K 753.94 Joback Calculated Property
Cp,gas 871.71 J/mol×K 784.11 Joback Calculated Property
Cp,gas 887.95 J/mol×K 814.28 Joback Calculated Property
Cp,gas 903.19 J/mol×K 844.45 Joback Calculated Property
Cp,gas 917.44 J/mol×K 874.62 Joback Calculated Property
Cp,gas 930.74 J/mol×K 904.79 Joback Calculated Property
η [0.0000401; 0.0039199] Pa×s [349.70; 723.77] Show Hide
η 0.0039199 Pa×s 349.70 Joback Calculated Property
η 0.0010247 Pa×s 412.05 Joback Calculated Property
η 0.0003811 Pa×s 474.39 Joback Calculated Property
η 0.0001784 Pa×s 536.74 Joback Calculated Property
η 0.0000978 Pa×s 599.08 Joback Calculated Property
η 0.0000600 Pa×s 661.42 Joback Calculated Property
η 0.0000401 Pa×s 723.77 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, hept-4-yl propyl ester. Diethylmalonic acid, butyl hept-4-yl ester. Diethylmalonic acid, isobutyl 2-octyl ester. Diethylmalonic acid, 2-hexyl isobutyl ester. Diethylmalonic acid, hept-4-yl pentadecyl ester. Diethylmalonic acid, hept-4-yl tetradecyl ester. Diethylmalonic acid, hept-4-yl tridecyl ester. Diethylmalonic acid, heptadecyl hept-4-yl ester. Diethylmalonic acid, hept-4-yl hexadecyl ester. Diethylmalonic acid, heptyl hept-4-yl ester. Diethylmalonic acid, hept-4-yl undecyl ester. Diethylmalonic acid, hept-4-yl octyl ester. Diethylmalonic acid, dodecyl hept-4-yl ester. Diethylmalonic acid, decyl hept-4-yl ester. Diethylmalonic acid, hept-4-yl hexyl ester.

Find more compounds similar to Diethylmalonic acid, hept-4-yl isobutyl ester.

Sources

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