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
ΔfusH° 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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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [422.13; 1059.93] 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 A-8.67680e+01
Coefficient B2.20408e+00
Coefficient C-1.31588e-03
Coefficient D2.58500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 422.13 J/mol×K 273.00 Calculated Property
Cp,gas 539.74 J/mol×K 353.78 Calculated Property
Cp,gas 643.75 J/mol×K 434.56 Calculated Property
Cp,gas 734.99 J/mol×K 515.33 Calculated Property
Cp,gas 814.27 J/mol×K 596.11 Calculated Property
Cp,gas 882.41 J/mol×K 676.89 Calculated Property
Cp,gas 940.23 J/mol×K 757.67 Calculated Property
Cp,gas 988.55 J/mol×K 838.44 Calculated Property
Cp,gas 1028.17 J/mol×K 919.22 Calculated Property
Cp,gas 1059.93 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0012250; 0.0000348] Pa×s [440.61; 775.47] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.49517e+01
Coefficient B3.63367e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.440.61
Temperature range, max.775.47
η 0.0012250 Pa×s 440.61 Calculated Property
η 0.0006445 Pa×s 477.82 Calculated Property
η 0.0003721 Pa×s 515.02 Calculated Property
η 0.0002313 Pa×s 552.23 Calculated Property
η 0.0001527 Pa×s 589.44 Calculated Property
η 0.0001059 Pa×s 626.64 Calculated Property
η 0.0000765 Pa×s 663.85 Calculated Property
η 0.0000572 Pa×s 701.06 Calculated Property
η 0.0000441 Pa×s 738.27 Calculated Property
η 0.0000348 Pa×s 775.47 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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