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

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

InChI
InChI=1S/C17H26O4/c1-4-5-6-7-12-21-15-10-8-14(13-16(15)19-2)9-11-17(18)20-3/h8,10,13H,4-7,9,11-12H2,1-3H3
InChI Key
CCPIWFREECSGFF-UHFFFAOYSA-N
Formula
C17H26O4
SMILES
CCCCCCOc1ccc(CCC(=O)OC)cc1OC
Molecular Weight1
294.39
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Physical Properties

Property Value Unit Source
ΔfH°gas -729.08 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.79 kJ/mol Joback Calculated Property
ΔvapH° 98.19 kJ/mol Relay (1.0) Calculated Property
IE 7.93 eV Relay (1.0) Calculated Property
log10WS -4.12 Relay (1.0) Calculated Property
logPoct/wat 3.760 Crippen Calculated Property
McVol 245.810 ml/mol McGowan Calculated Property
Inp [2083.80; 2083.80]   Show Hide
Inp 2083.80 NIST
Inp 2083.80 NIST
Tboil 617.43 K Relay (1.0) Calculated Property
Tc 810.31 K Relay (1.0) Calculated Property
Tfus 294.69 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, 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 [361.11; 816.88] 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 A5.85370e+01
Coefficient B1.23976e+00
Coefficient C-4.81520e-04
Coefficient D1.00000e-10
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 361.11 J/mol×K 273.00 Calculated Property
Cp,gas 436.87 J/mol×K 353.78 Calculated Property
Cp,gas 506.36 J/mol×K 434.56 Calculated Property
Cp,gas 569.56 J/mol×K 515.33 Calculated Property
Cp,gas 626.49 J/mol×K 596.11 Calculated Property
Cp,gas 677.13 J/mol×K 676.89 Calculated Property
Cp,gas 721.48 J/mol×K 757.67 Calculated Property
Cp,gas 759.56 J/mol×K 838.44 Calculated Property
Cp,gas 791.36 J/mol×K 919.22 Calculated Property
Cp,gas 816.88 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0006931; 0.0000887] Pa×s [419.60; 643.97] 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-1.31751e+01
Coefficient B2.47596e+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.419.60
Temperature range, max.643.97
η 0.0006931 Pa×s 419.60 Calculated Property
η 0.0004978 Pa×s 444.53 Calculated Property
η 0.0003704 Pa×s 469.46 Calculated Property
η 0.0002839 Pa×s 494.39 Calculated Property
η 0.0002232 Pa×s 519.32 Calculated Property
η 0.0001794 Pa×s 544.25 Calculated Property
η 0.0001470 Pa×s 569.18 Calculated Property
η 0.0001225 Pa×s 594.11 Calculated Property
η 0.0001036 Pa×s 619.04 Calculated Property
η 0.0000887 Pa×s 643.97 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-cyclohexyl-methyl-oxy-phenyl)-propionic acid, methyl ester. (3-Chloro-4-cyclohexylmethoxy-phenyl)-propionic acid, methyl ester. 3-(3-methoxy-4-isopropoxy-phenyl)-2-methyl-propionic acid, methyl ester. 1-(3,4-Dimethoxyphenyl)decane-3,5-diyl diacetate. 1,7-bis(3,4-Dimethoxyphenyl)heptane-3,5-diyl diacetate. 4-(3,5-Dimethoxydecyl)-1,2-dimethoxybenzene. Avenaciolide, 1-dihydro-6-[2-(3-ethoxyphenyl)ethyl]-4-demethylene. 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-butyloxy-phenyl)propanoic acid, butyl ester. 1-(3,4-Dimethoxyphenyl)-5-methoxyundecan-3-one. 1-(3,4-Dimethoxyphenyl)-5-methoxydecan-3-one. 1-(4-Hydroxy-3-methoxyphenyl)octane-3,5-diyl diacetate. (3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)decane-3,5-diyl diacetate.

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

Sources

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