Chemical Properties of Benzenepropanoic acid, 3,4-dimethoxy-, methyl ester

Benzenepropanoic acid, 3,4-dimethoxy-, methyl ester

InChI
InChI=1S/C12H16O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4,6,8H,5,7H2,1-3H3
InChI Key
VSWFXSSYWWNFNF-UHFFFAOYSA-N
Formula
C12H16O4
SMILES
COC(=O)CCc1ccc(OC)c(OC)c1
Molecular Weight1
224.26
Other Names
  • Hydrocinnamic acid, 3,4-dimethoxy-, methyl ester
  • Methyl 3-(3,4-dimethoxyphenyl)propanoate
  • Propanoic acid, 3-(3,4-dimethoxyphenyl), methyl ester
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° 26.84 kJ/mol Joback Calculated Property
ΔvapH° 88.96 kJ/mol Relay (1.0) Calculated Property
IE 8.01 eV Relay (1.0) Calculated Property
log10WS -2.29 Relay (1.0) Calculated Property
logPoct/wat 1.809 Crippen Calculated Property
McVol 175.360 ml/mol McGowan Calculated Property
Pc 2271.90 kPa Joback Calculated Property
Inp [1676.00; 1726.00]   Show Hide
Inp 1726.00 NIST
Inp 1676.00 NIST
Inp 1684.00 NIST
Tboil 573.16 K Relay (1.0) Calculated Property
Tfus 305.92 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [439.85; 515.20] J/mol×K [613.86; 815.55] Show Hide
Cp,gas 439.85 J/mol×K 613.86 Joback Calculated Property
Cp,gas 454.29 J/mol×K 647.47 Joback Calculated Property
Cp,gas 467.99 J/mol×K 681.09 Joback Calculated Property
Cp,gas 480.95 J/mol×K 714.70 Joback Calculated Property
Cp,gas 493.15 J/mol×K 748.32 Joback Calculated Property
Cp,gas 504.57 J/mol×K 781.93 Joback Calculated Property
Cp,gas 515.20 J/mol×K 815.55 Joback Calculated Property
η [0.0001025; 0.0009759] Pa×s [363.25; 613.86] Show Hide
η 0.0009759 Pa×s 363.25 Joback Calculated Property
η 0.0005523 Pa×s 405.02 Joback Calculated Property
η 0.0003477 Pa×s 446.79 Joback Calculated Property
η 0.0002369 Pa×s 488.56 Joback Calculated Property
η 0.0001715 Pa×s 530.32 Joback Calculated Property
η 0.0001301 Pa×s 572.09 Joback Calculated Property
η 0.0001025 Pa×s 613.86 Joback Calculated Property

Similar Compounds

Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate. Propanoic acid, 3-(3,4,5-trimethoxyphenyl), methyl ester. (3-Methoxy-4-isopropoxy-phenyl)-propionic acid, methyl ester. Ethyl-«beta»-(4-hydroxy-3-methoxy-phenyl)-propionate. 3-(3,4-Dimethoxyphenyl)propionic acid. 3-(3,4-Methylendioxyphenyl)propionic acid. «beta»-(4-Hydroxy-3-methoxyphenyl)propionic acid. Benzenepropanoic acid, 4-methoxy-, methyl ester. (3-Methoxy-4-hexyloxy-phenyl)-propionic acid, methyl ester. 3-(3,4-DIMETHOXYPHENYL)-1-PROPANOL. Methyl zingerone. 3-(3-Methoxyphenyl)propanoic acid. 3-(3-methoxy-4-isopropoxy-phenyl)-2-methyl-propionic acid, methyl ester. 3-(3,4,5-TRIMETHOXYPHENYL)PROPIONIC ACID. 3-(Benzo[d][1,3]dioxol-5-yl)propanal.

Find more compounds similar to Benzenepropanoic acid, 3,4-dimethoxy-, methyl 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.