Chemical Properties of 3-(3-methoxy-4-hexyloxy-phenyl)-2-methyl-propionic acid, methyl ester

3-(3-methoxy-4-hexyloxy-phenyl)-2-methyl-propionic acid, methyl ester

InChI
InChI=1S/C18H28O4/c1-5-6-7-8-11-22-16-10-9-15(13-17(16)20-3)12-14(2)18(19)21-4/h9-10,13-14H,5-8,11-12H2,1-4H3
InChI Key
BQEKLEUILOHYIH-UHFFFAOYSA-N
Formula
C18H28O4
SMILES
CCCCCCOc1ccc(CC(C)C(=O)OC)cc1OC
Molecular Weight1
308.42
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Physical Properties

Property Value Unit Source
ΔfusH° 37.28 kJ/mol Joback Calculated Property
IE 7.99 eV Relay (1.0) Calculated Property
logPoct/wat 4.006 Crippen Calculated Property
McVol 259.900 ml/mol McGowan Calculated Property
Inp 2090.20 NIST
Tboil 608.16 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 [770.26; 856.68] J/mol×K [768.57; 964.21] Show Hide
Cp,gas 770.26 J/mol×K 768.57 Joback Calculated Property
Cp,gas 787.28 J/mol×K 801.18 Joback Calculated Property
Cp,gas 803.25 J/mol×K 833.78 Joback Calculated Property
Cp,gas 818.17 J/mol×K 866.39 Joback Calculated Property
Cp,gas 832.05 J/mol×K 899.00 Joback Calculated Property
Cp,gas 844.89 J/mol×K 931.61 Joback Calculated Property
Cp,gas 856.68 J/mol×K 964.21 Joback Calculated Property
η [0.0000519; 0.0005942] Pa×s [445.70; 768.57] Show Hide
η 0.0005942 Pa×s 445.70 Joback Calculated Property
η 0.0003180 Pa×s 499.51 Joback Calculated Property
η 0.0001922 Pa×s 553.32 Joback Calculated Property
η 0.0001270 Pa×s 607.13 Joback Calculated Property
η 0.0000898 Pa×s 660.95 Joback Calculated Property
η 0.0000669 Pa×s 714.76 Joback Calculated Property
η 0.0000519 Pa×s 768.57 Joback Calculated Property

Similar Compounds

3-(3-Methoxy-4-cyclohexylmethoxy-phenyl)-2-methyl-propionic acid, methyl ester. 3-(3-methoxy-4-isopropoxy-phenyl)-2-methyl-propionic acid, methyl ester. (3-Methoxy-4-hexyloxy-phenyl)-propionic acid, methyl ester. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-((7-methoxybenzo[d][1,3]dioxol-5-yl)methyl)dihydrofuran-2(3H)-one. (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. tetrahydro-3,4-dipiperonylfuran-2-ol. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one. (3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-. (3R)-trans-Dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone diTMS. 11-nor-D9-Tetrahydrocannabinol-9-carboxylic acid. N-Desmethyl-cis-tramadol, N-trimethylsilyl-, trimethylsilyl ether. 3-(3-chloro, 4-isobutoxyphenyl)-2-methyl-propionic acid, methyl ester. Cilostazol. (3-Chloro-4-cyclohexylmethoxy-phenyl)-propionic acid, methyl ester.

Find more compounds similar to 3-(3-methoxy-4-hexyloxy-phenyl)-2-methyl-propionic acid, methyl ester.

Sources

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