Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl phenethyl ester

cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl phenethyl ester

InChI
InChI=1S/C22H30O4/c1-17(2)9-8-15-25-21(23)19-12-6-7-13-20(19)22(24)26-16-14-18-10-4-3-5-11-18/h3-7,10-11,17,19-20H,8-9,12-16H2,1-2H3
InChI Key
ZRYNUTOQDUMPTO-UHFFFAOYSA-N
Formula
C22H30O4
SMILES
CC(C)CCCOC(=O)C1CC=CCC1C(=O)OCCc1ccccc1
Molecular Weight1
358.48
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Physical Properties

Property Value Unit Source
ΔfusH° 46.12 kJ/mol Joback Calculated Property
ΔvapH° 109.53 kJ/mol Relay (1.0) Calculated Property
log10WS -4.93 Relay (1.0) Calculated Property
logPoct/wat 4.334 Crippen Calculated Property
McVol 296.800 ml/mol McGowan Calculated Property
Inp [2568.00; 2568.00]   Show Hide
Inp 2568.00 NIST
Inp 2568.00 NIST
Tboil 660.83 K Relay (1.0) Calculated Property
Tfus 306.56 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [954.71; 1034.49] J/mol×K [859.68; 1075.11] Show Hide
Cp,gas 954.71 J/mol×K 859.68 Joback Calculated Property
Cp,gas 971.97 J/mol×K 895.59 Joback Calculated Property
Cp,gas 987.59 J/mol×K 931.49 Joback Calculated Property
Cp,gas 1001.61 J/mol×K 967.40 Joback Calculated Property
Cp,gas 1014.08 J/mol×K 1003.30 Joback Calculated Property
Cp,gas 1025.02 J/mol×K 1039.21 Joback Calculated Property
Cp,gas 1034.49 J/mol×K 1075.11 Joback Calculated Property
η [0.0000415; 0.0012198] Pa×s [437.68; 859.68] Show Hide
η 0.0012198 Pa×s 437.68 Joback Calculated Property
η 0.0004702 Pa×s 508.01 Joback Calculated Property
η 0.0002286 Pa×s 578.35 Joback Calculated Property
η 0.0001299 Pa×s 648.68 Joback Calculated Property
η 0.0000825 Pa×s 719.01 Joback Calculated Property
η 0.0000568 Pa×s 789.35 Joback Calculated Property
η 0.0000415 Pa×s 859.68 Joback Calculated Property

Similar Compounds

cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentyl phenethyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl phenethyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl phenethyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, nonyl phenethyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl phenethyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, phenethyl tridecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, phenethyl tetradecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, octyl phenethyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, phenethyl undecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentadecyl phenethyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl phenethyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl phenethyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, isobutyl phenethyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, phenethyl propyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(phenethyl) ester.

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl phenethyl ester.

Sources

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