Chemical Properties of 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-COOH-), methyl

2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-COOH-), methyl

InChI
InChI=1S/C12H16O4/c1-8-5-11(15-3)9(6-10(8)14-2)7-12(13)16-4/h5-6H,7H2,1-4H3
InChI Key
QESMEYPKJZIHIH-UHFFFAOYSA-N
Formula
C12H16O4
SMILES
COC(=O)Cc1cc(OC)c(C)cc1OC
Molecular Weight1
224.25
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° 26.46 kJ/mol Joback Calculated Property
IE 7.73 eV Relay (1.0) Calculated Property
logPoct/wat 1.728 Crippen Calculated Property
McVol 175.360 ml/mol McGowan Calculated Property
Inp 1760.00 NIST
Tboil 568.77 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 [439.29; 513.86] J/mol×K [618.84; 821.45] Show Hide
Cp,gas 439.29 J/mol×K 618.84 Joback Calculated Property
Cp,gas 453.54 J/mol×K 652.61 Joback Calculated Property
Cp,gas 467.08 J/mol×K 686.38 Joback Calculated Property
Cp,gas 479.91 J/mol×K 720.14 Joback Calculated Property
Cp,gas 491.99 J/mol×K 753.91 Joback Calculated Property
Cp,gas 503.32 J/mol×K 787.68 Joback Calculated Property
Cp,gas 513.86 J/mol×K 821.45 Joback Calculated Property
η [0.0001010; 0.0007782] Pa×s [375.77; 618.84] Show Hide
η 0.0007782 Pa×s 375.77 Joback Calculated Property
η 0.0004692 Pa×s 416.28 Joback Calculated Property
η 0.0003094 Pa×s 456.79 Joback Calculated Property
η 0.0002184 Pa×s 497.30 Joback Calculated Property
η 0.0001624 Pa×s 537.82 Joback Calculated Property
η 0.0001259 Pa×s 578.33 Joback Calculated Property
η 0.0001010 Pa×s 618.84 Joback Calculated Property

Similar Compounds

2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-COOH-), methyl-acetylated, I. 2-(4-Ethyl-2,5-dimethoxyphenyl)acetic acid, methyl ester. Homogentisic acid, dimethyl ether, methyl ester. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-COOH-), methyl-acetylated, II. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HOOC-), methyl. 2-(4-Acetyl-2,5-dimethoxyphenyl)acetic acid, methyl ester. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-desamino-COOH), isomer 2, methyl-acetylated. 2-(4-Ethyl-2-acetoxy-5-methoxyphenyl)acetic acid, methyl ester. Benzeneacetic acid, 2-methoxy-, methyl ester. Benzeneacetic acid, 2,5-dimethoxy-. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HOOC-O-desmethyl-), methyl-TFA. 2,5-Di hydroxyphenylacetic acid, TFA-ME. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 2, methyl-acetylated. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-HO-), acetylated. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-desamino-COOH), isomer 1, methyl-acetylated.

Find more compounds similar to 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (desamino-COOH-), methyl.

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.