Chemical Properties of Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2-ethylhexyl ester

Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2-ethylhexyl ester

InChI
InChI=1S/C25H44O4/c1-4-7-13-21(6-3)20-28-24(26)16-11-17-25(27)29-23(12-5-2)19-18-22-14-9-8-10-15-22/h9,14,21-23H,4-8,10-13,15-20H2,1-3H3
InChI Key
HVPFUGVHBIYVLL-UHFFFAOYSA-N
Formula
C25H44O4
SMILES
CCCCC(CC)COC(=O)CCCC(=O)OC(CCC)CCC1C=CCCC1
Molecular Weight1
408.61
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Physical Properties

Property Value Unit Source
ΔfusH° 55.25 kJ/mol Joback Calculated Property
ΔvapH° 112.19 kJ/mol Relay (1.0) Calculated Property
IE 8.68 eV Relay (1.0) Calculated Property
log10WS -5.87 Relay (1.0) Calculated Property
logPoct/wat 6.765 Crippen Calculated Property
McVol 362.830 ml/mol McGowan Calculated Property
Inp [2705.00; 2705.00]   Show Hide
Inp 2705.00 NIST
Inp 2705.00 NIST
Tc 849.45 K Relay (1.0) Calculated Property
Tfus 237.44 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [523.28; 1280.17] 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-3.02080e+01
Coefficient B2.34716e+00
Coefficient C-1.22168e-03
Coefficient D1.84900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 523.28 J/mol×K 273.00 Calculated Property
Cp,gas 655.45 J/mol×K 353.78 Calculated Property
Cp,gas 774.24 J/mol×K 434.56 Calculated Property
Cp,gas 880.23 J/mol×K 515.33 Calculated Property
Cp,gas 974.00 J/mol×K 596.11 Calculated Property
Cp,gas 1056.16 J/mol×K 676.89 Calculated Property
Cp,gas 1127.26 J/mol×K 757.67 Calculated Property
Cp,gas 1187.91 J/mol×K 838.44 Calculated Property
Cp,gas 1238.69 J/mol×K 919.22 Calculated Property
Cp,gas 1280.17 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0012686; 0.0000346] Pa×s [434.31; 776.96] 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-1.48392e+01
Coefficient B3.54803e+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.434.31
Temperature range, max.776.96
η 0.0012686 Pa×s 434.31 Calculated Property
η 0.0006567 Pa×s 472.38 Calculated Property
η 0.0003750 Pa×s 510.45 Calculated Property
η 0.0002315 Pa×s 548.53 Calculated Property
η 0.0001521 Pa×s 586.60 Calculated Property
η 0.0001052 Pa×s 624.67 Calculated Property
η 0.0000759 Pa×s 662.74 Calculated Property
η 0.0000568 Pa×s 700.82 Calculated Property
η 0.0000437 Pa×s 738.89 Calculated Property
η 0.0000346 Pa×s 776.96 Calculated Property

Similar Compounds

Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl cyclohexylmethyl ester. Glutaric acid, di(1-(cyclohex-2-enyl)hex-3-yl) ester. Glutaric acid, (cyclohex-3-enyl)methyl dec-2-yl ester. Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 1,1,1-trifluoroprop-2-yl ester. Glutaric acid, (cyclohex-3-enyl)methyl hept-2-yl ester. Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2,2,3,3-tetrafluoropropyl ester. Glutaric acid, (cyclohex-3-enyl)methyl 2-methylpent-3-yl ester. Glutaric acid, (cyclohex-3-enyl)methyl 3-methylbut-2-yl ester. Glutaric acid, oct-1-en-3-yl 2-ethylhexyl ester. dihydro-nor-dicyclopentadienyl propionate. Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Menthyl bicyclo[2.2.1]hept-2-en-5-carboxylate. «DELTA»6-Lithocholic acid, acetate-methyl ester. Glutaric acid, 1-cyclopentylethyl dodec-2-en-1-yl ester. 8,9,10-trinorborn-5-ene-2-spiro-1'-(2'-butyroxycyclohexane).

Find more compounds similar to Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2-ethylhexyl ester.

Sources

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