Chemical Properties of Dimethylmalonic acid, isobutyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester

Dimethylmalonic acid, isobutyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester

InChI
InChI=1S/C23H32O4/c1-17(2)16-26-21(24)23(3,4)22(25)27-20(19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h6-7,9-11,13-14,17-18,20H,5,8,12,15-16H2,1-4H3
InChI Key
HIOIJAZHDPSNBD-UHFFFAOYSA-N
Formula
C23H32O4
SMILES
CC(C)COC(=O)C(C)(C)C(=O)OC(CC1C=CCCC1)c1ccccc1
Molecular Weight1
372.50
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Physical Properties

Property Value Unit Source
Δfus 36.70 kJ/mol Joback Calculated Property
IE 8.67 eV Relay (1.0) Calculated Property
logPoct/wat 5.243 Crippen Calculated Property
McVol 310.890 ml/mol McGowan Calculated Property
Inp [2359.00; 2359.00]   Show Hide
Inp 2359.00 NIST
Inp 2359.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1011.70; 1091.48] J/mol×K [883.56; 1107.82] Show Hide
Cp,gas 1011.70 J/mol×K 883.56 Joback Calculated Property
Cp,gas 1028.93 J/mol×K 920.94 Joback Calculated Property
Cp,gas 1044.47 J/mol×K 958.31 Joback Calculated Property
Cp,gas 1058.42 J/mol×K 995.69 Joback Calculated Property
Cp,gas 1070.85 J/mol×K 1033.06 Joback Calculated Property
Cp,gas 1081.84 J/mol×K 1070.44 Joback Calculated Property
Cp,gas 1091.48 J/mol×K 1107.82 Joback Calculated Property
η [0.0000196; 0.0012250] Pa×s [440.61; 883.56] Show Hide
η 0.0012250 Pa×s 440.61 Joback Calculated Property
η 0.0003751 Pa×s 514.43 Joback Calculated Property
η 0.0001546 Pa×s 588.26 Joback Calculated Property
η 0.0000776 Pa×s 662.09 Joback Calculated Property
η 0.0000448 Pa×s 735.91 Joback Calculated Property
η 0.0000285 Pa×s 809.73 Joback Calculated Property
η 0.0000196 Pa×s 883.56 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl tridecyl ester. Dimethylmalonic acid, octyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, hexyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, butyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl undecyl ester. Dimethylmalonic acid, decyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, heptyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, dodecyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl propyl ester. Dimethylmalonic acid, nonyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, ethyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester. Dimethylmalonic acid, di(1-phenyl-2-(cyclohex-2-enyl)ethyl) ester. Glutaric acid, isobutyl 1-phenyl-2-(3-cyclohexenyl)ethyl ester. Pimelic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl isobutyl ester. Sebacic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl isobutyl ester.

Find more compounds similar to Dimethylmalonic acid, isobutyl 1-phenyl-2-(cyclohex-2-enyl)ethyl ester.

Sources

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