Chemical Properties of 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester (CAS 5466-77-3)

2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

InChI
InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+
InChI Key
YBGZDTIWKVFICR-JLHYYAGUSA-N
Formula
C18H26O3
SMILES
CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1
Molecular Weight1
290.40
CAS
5466-77-3
Other Names
  • Octinoxate
  • Parsol MCX
  • Parsol MOX
  • 2-Ethylhexyl p-methoxycinnamate
  • 2-Ethylhexyl-4-methoxycinnamate
  • 2-Ethylhexyl methoxycinnamate
  • 3-(4-Methoxyphenyl)-2-propenoic acid 2-ethylhexyl ester
  • Escalol 557
  • Neo heliopan AV
  • Neo heliopan, type AV
  • Octyl methoxy cinnamate
  • 2-Ethylhexyl 3-(4-methoxyphenyl)-2-propenoate
  • NSC 26466
  • Sunscreen AV
  • Uvinul MC 80
  • UvinulT MC 80 N
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Physical Properties

Property Value Unit Source
ΔfusH° 38.26 kJ/mol Joback Calculated Property
log10WS -5.47 Relay (1.0) Calculated Property
logPoct/wat 4.468 Crippen Calculated Property
McVol 249.730 ml/mol McGowan Calculated Property
Pc 1499.99 kPa Joback Calculated Property
Tboil 633.24 K Relay (1.0) Calculated Property
Tfus 294.86 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [350.05; 822.97] 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 A1.96500e+00
Coefficient B1.48336e+00
Coefficient C-8.00960e-04
Coefficient D1.38600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 350.05 J/mol×K 273.00 Calculated Property
Cp,gas 432.63 J/mol×K 353.78 Calculated Property
Cp,gas 506.69 J/mol×K 434.56 Calculated Property
Cp,gas 572.65 J/mol×K 515.33 Calculated Property
Cp,gas 630.95 J/mol×K 596.11 Calculated Property
Cp,gas 682.04 J/mol×K 676.89 Calculated Property
Cp,gas 726.34 J/mol×K 757.67 Calculated Property
Cp,gas 764.31 J/mol×K 838.44 Calculated Property
Cp,gas 796.37 J/mol×K 919.22 Calculated Property
Cp,gas 822.96 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0013175; 0.0000795] Pa×s [376.04; 648.35] 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-1.33157e+01
Coefficient B2.51335e+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.376.04
Temperature range, max.648.35
η 0.0013175 Pa×s 376.04 Calculated Property
η 0.0008009 Pa×s 406.30 Calculated Property
η 0.0005217 Pa×s 436.55 Calculated Property
η 0.0003592 Pa×s 466.81 Calculated Property
η 0.0002588 Pa×s 497.07 Calculated Property
η 0.0001936 Pa×s 527.33 Calculated Property
η 0.0001495 Pa×s 557.58 Calculated Property
η 0.0001186 Pa×s 587.84 Calculated Property
η 0.0000962 Pa×s 618.10 Calculated Property
η 0.0000795 Pa×s 648.35 Calculated Property

Similar Compounds

2-Ethylhexyl trans-4-methoxycinnamate. 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-octyl ester. 2-Methylbutyl (E)-isoferulate, TMS. (+)-2-Methylbutyl p-((p-methoxybenzylidene)amino)cinnamate. 3-Methylbutyl (E)-isoferulate, TMS. Succinic acid, 2-ethylhexyl 3-phenylprop-2-en-1-yl ester. Succinic acid, cyclohexylmethyl 3-phenylprop-2-en-1-yl ester. 2-Methylpropyl (E)-isoferulate, TMS. (E)-(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl 3-(benzo[d][1,3]dioxol-5-yl)acrylate. 2-Propenoic acid, 3-phenyl-, 2-methylbutyl ester. 3-Methyl-3-butenyl (E)-isoferulate, TMS. 3-Methyl-3-butenyl (Z)-isoferulate, TMS. p-Hydroxycinnamoyllupinine. p-Coumaroyllupinine. Feruloyllupinine.

Find more compounds similar to 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester.

Sources

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