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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [710.54; 798.88] J/mol×K [727.46; 926.22] Show Hide
Cp,gas 710.54 J/mol×K 727.46 Joback Calculated Property
Cp,gas 727.82 J/mol×K 760.59 Joback Calculated Property
Cp,gas 744.04 J/mol×K 793.71 Joback Calculated Property
Cp,gas 759.23 J/mol×K 826.84 Joback Calculated Property
Cp,gas 773.41 J/mol×K 859.97 Joback Calculated Property
Cp,gas 786.62 J/mol×K 893.09 Joback Calculated Property
Cp,gas 798.88 J/mol×K 926.22 Joback Calculated Property
η [0.0000522; 0.0013175] Pa×s [376.04; 727.46] Show Hide
η 0.0013175 Pa×s 376.04 Joback Calculated Property
η 0.0005353 Pa×s 434.61 Joback Calculated Property
η 0.0002693 Pa×s 493.18 Joback Calculated Property
η 0.0001568 Pa×s 551.75 Joback Calculated Property
η 0.0001013 Pa×s 610.32 Joback Calculated Property
η 0.0000706 Pa×s 668.89 Joback Calculated Property
η 0.0000522 Pa×s 727.46 Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.