Chemical Properties of 3-(3-Methoxy-4-cyclohexylmethoxy-phenyl)-2-methyl-propionic acid, methyl ester

3-(3-Methoxy-4-cyclohexylmethoxy-phenyl)-2-methyl-propionic acid, methyl ester

InChI
InChI=1S/C19H28O4/c1-14(19(20)22-3)11-16-9-10-17(18(12-16)21-2)23-13-15-7-5-4-6-8-15/h9-10,12,14-15H,4-8,11,13H2,1-3H3
InChI Key
MTLSNKDBKZHSKU-UHFFFAOYSA-N
Formula
C19H28O4
SMILES
COC(=O)C(C)Cc1ccc(OCC2CCCCC2)c(OC)c1
Molecular Weight1
320.43
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° 31.70 kJ/mol Joback Calculated Property
IE 7.96 eV Relay (1.0) Calculated Property
logPoct/wat 4.006 Crippen Calculated Property
McVol 263.130 ml/mol McGowan Calculated Property
Inp [2272.10; 2272.10]   Show Hide
Inp 2272.10 NIST
Inp 2272.10 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [824.15; 913.75] J/mol×K [811.00; 1028.38] Show Hide
Cp,gas 824.15 J/mol×K 811.00 Joback Calculated Property
Cp,gas 842.82 J/mol×K 847.23 Joback Calculated Property
Cp,gas 859.98 J/mol×K 883.46 Joback Calculated Property
Cp,gas 875.65 J/mol×K 919.69 Joback Calculated Property
Cp,gas 889.83 J/mol×K 955.92 Joback Calculated Property
Cp,gas 902.53 J/mol×K 992.15 Joback Calculated Property
Cp,gas 913.75 J/mol×K 1028.38 Joback Calculated Property
η [0.0000473; 0.0006256] Pa×s [464.35; 811.00] Show Hide
η 0.0006256 Pa×s 464.35 Joback Calculated Property
η 0.0003206 Pa×s 522.12 Joback Calculated Property
η 0.0001877 Pa×s 579.90 Joback Calculated Property
η 0.0001211 Pa×s 637.67 Joback Calculated Property
η 0.0000841 Pa×s 695.45 Joback Calculated Property
η 0.0000617 Pa×s 753.23 Joback Calculated Property
η 0.0000473 Pa×s 811.00 Joback Calculated Property

Similar Compounds

3-(3-methoxy-4-hexyloxy-phenyl)-2-methyl-propionic acid, methyl ester. (3-Methoxy-4-hexyloxy-phenyl)-propionic acid, methyl ester. 3-(3-methoxy-4-isopropoxy-phenyl)-2-methyl-propionic acid, methyl ester. 11-nor-D9-Tetrahydrocannabinol-9-carboxylic acid. (3-Chloro-4-cyclohexylmethoxy-phenyl)-propionic acid, methyl ester. Cinchonidine. Cinchonine. Cilostazol. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one. Quinidine. 12-O-Methylcarnosol. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. Quinine. narwedine. N-Desmethyl-cis-tramadol, N-trimethylsilyl-, trimethylsilyl ether.

Find more compounds similar to 3-(3-Methoxy-4-cyclohexylmethoxy-phenyl)-2-methyl-propionic acid, 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.