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° 38.86 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; 2090.20]   Show Hide
Inp 2090.20 NIST
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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [382.01; 869.01] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.59460e+01
Coefficient B1.34068e+00
Coefficient C-5.39120e-04
Coefficient D1.15000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 382.01 J/mol×K 273.00 Calculated Property
Cp,gas 463.28 J/mol×K 353.78 Calculated Property
Cp,gas 537.68 J/mol×K 434.56 Calculated Property
Cp,gas 605.24 J/mol×K 515.33 Calculated Property
Cp,gas 666.00 J/mol×K 596.11 Calculated Property
Cp,gas 719.99 J/mol×K 676.89 Calculated Property
Cp,gas 767.25 J/mol×K 757.67 Calculated Property
Cp,gas 807.81 J/mol×K 838.44 Calculated Property
Cp,gas 841.72 J/mol×K 919.22 Calculated Property
Cp,gas 869.01 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0007537; 0.0000737] Pa×s [415.87; 660.85] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.34615e+01
Coefficient B2.60794e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.415.87
Temperature range, max.660.85
η 0.0007537 Pa×s 415.87 Calculated Property
η 0.0005127 Pa×s 443.09 Calculated Property
η 0.0003647 Pa×s 470.31 Calculated Property
η 0.0002693 Pa×s 497.53 Calculated Property
η 0.0002052 Pa×s 524.75 Calculated Property
η 0.0001606 Pa×s 551.97 Calculated Property
η 0.0001286 Pa×s 579.19 Calculated Property
η 0.0001051 Pa×s 606.41 Calculated Property
η 0.0000873 Pa×s 633.63 Calculated Property
η 0.0000737 Pa×s 660.85 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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