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

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

InChI
InChI=1S/C15H22O4/c1-10(2)19-13-7-6-12(9-14(13)17-4)8-11(3)15(16)18-5/h6-7,9-11H,8H2,1-5H3
InChI Key
ZWVUNIMYLWNFOX-UHFFFAOYSA-N
Formula
C15H22O4
SMILES
COC(=O)C(C)Cc1ccc(OC(C)C)c(OC)c1
Molecular Weight1
266.33
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Physical Properties

Property Value Unit Source
ΔfusH° 27.57 kJ/mol Joback Calculated Property
IE 8.04 eV Relay (1.0) Calculated Property
log10WS -2.80 Relay (1.0) Calculated Property
logPoct/wat 2.834 Crippen Calculated Property
McVol 217.630 ml/mol McGowan Calculated Property
Inp [1710.50; 1710.50]   Show Hide
Inp 1710.50 NIST
Inp 1710.50 NIST
Tboil 567.36 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 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 [318.05; 714.77] 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 A5.69910e+01
Coefficient B1.06160e+00
Coefficient C-3.79120e-04
Coefficient D-2.47000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 318.05 J/mol×K 273.00 Calculated Property
Cp,gas 384.02 J/mol×K 353.78 Calculated Property
Cp,gas 444.70 J/mol×K 434.56 Calculated Property
Cp,gas 500.01 J/mol×K 515.33 Calculated Property
Cp,gas 549.87 J/mol×K 596.11 Calculated Property
Cp,gas 594.21 J/mol×K 676.89 Calculated Property
Cp,gas 632.95 J/mol×K 757.67 Calculated Property
Cp,gas 666.01 J/mol×K 838.44 Calculated Property
Cp,gas 693.31 J/mol×K 919.22 Calculated Property
Cp,gas 714.77 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0012225; 0.0000896] Pa×s [367.06; 617.85] 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-1.31452e+01
Coefficient B2.36328e+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.367.06
Temperature range, max.617.85
η 0.0012225 Pa×s 367.06 Calculated Property
η 0.0007762 Pa×s 394.93 Calculated Property
η 0.0005232 Pa×s 422.79 Calculated Property
η 0.0003703 Pa×s 450.66 Calculated Property
η 0.0002729 Pa×s 478.52 Calculated Property
η 0.0002079 Pa×s 506.39 Calculated Property
η 0.0001630 Pa×s 534.26 Calculated Property
η 0.0001309 Pa×s 562.12 Calculated Property
η 0.0001073 Pa×s 589.99 Calculated Property
η 0.0000896 Pa×s 617.85 Calculated Property

Similar Compounds

3-(3-methoxy-4-hexyloxy-phenyl)-2-methyl-propionic acid, methyl ester. 3-(3-Methoxy-4-cyclohexylmethoxy-phenyl)-2-methyl-propionic acid, methyl ester. (3-Methoxy-4-isopropoxy-phenyl)-propionic acid, methyl ester. 3-(4-isopropoxy-phenyl)-2-methyl-propionic acid, methyl ester. 3-(3-chloro, 4-isobutoxyphenyl)-2-methyl-propionic acid, methyl ester. (3-Methoxy-4-hexyloxy-phenyl)-propionic acid, methyl ester. (3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one. (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. 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-. 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester. (3R)-trans-Dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone diTMS. 3-(3-Chloro-4-benzyloxy-phenyl)-2-methyl-propionic acid, methyl ester.

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

Sources

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