Chemical Properties of 1,7-bis(3,4-Dimethoxyphenyl)heptane-3,5-diyl diacetate

1,7-bis(3,4-Dimethoxyphenyl)heptane-3,5-diyl diacetate

InChI
InChI=1S/C27H36O8/c1-18(28)34-22(11-7-20-9-13-24(30-3)26(15-20)32-5)17-23(35-19(2)29)12-8-21-10-14-25(31-4)27(16-21)33-6/h9-10,13-16,22-23H,7-8,11-12,17H2,1-6H3
InChI Key
HHLUMCLAOIMUOP-UHFFFAOYSA-N
Formula
C27H36O8
SMILES
COc1ccc(CCC(CC(CCc2ccc(OC)c(OC)c2)OC(C)=O)OC(C)=O)cc1OC
Molecular Weight1
488.57
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Physical Properties

Property Value Unit Source
ΔfusH° 58.66 kJ/mol Joback Calculated Property
IE 7.60 eV Relay (1.0) Calculated Property
logPoct/wat 4.540 Crippen Calculated Property
McVol 382.130 ml/mol McGowan Calculated Property
Inp [3347.30; 3347.30]   Show Hide
Inp 3347.30 NIST
Inp 3347.30 NIST
Tboil 731.86 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 [567.61; 1254.36] 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 A1.17185e+02
Coefficient B1.82252e+00
Coefficient C-6.12440e-04
Coefficient D-7.29000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 567.61 J/mol×K 273.00 Calculated Property
Cp,gas 682.07 J/mol×K 353.78 Calculated Property
Cp,gas 787.54 J/mol×K 434.56 Calculated Property
Cp,gas 883.77 J/mol×K 515.33 Calculated Property
Cp,gas 970.54 J/mol×K 596.11 Calculated Property
Cp,gas 1047.61 J/mol×K 676.89 Calculated Property
Cp,gas 1114.76 J/mol×K 757.67 Calculated Property
Cp,gas 1171.76 J/mol×K 838.44 Calculated Property
Cp,gas 1218.37 J/mol×K 919.22 Calculated Property
Cp,gas 1254.36 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0000540; 0.0000072] Pa×s [640.55; 940.05] 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-1.61615e+01
Coefficient B4.05800e+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.640.55
Temperature range, max.940.05
η 0.0000540 Pa×s 640.55 Calculated Property
η 0.0000395 Pa×s 673.83 Calculated Property
η 0.0000298 Pa×s 707.11 Calculated Property
η 0.0000230 Pa×s 740.38 Calculated Property
η 0.0000182 Pa×s 773.66 Calculated Property
η 0.0000146 Pa×s 806.94 Calculated Property
η 0.0000120 Pa×s 840.22 Calculated Property
η 0.0000100 Pa×s 873.50 Calculated Property
η 0.0000084 Pa×s 906.78 Calculated Property
η 0.0000072 Pa×s 940.05 Calculated Property

Similar Compounds

1-(3,4-Dimethoxyphenyl)decane-3,5-diyl diacetate. 1,7-bis(4-Hydroxy-3-methoxyphenyl)heptane-3,5-diyl diacetate. (3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)decane-3,5-diyl diacetate. 1-(4-Hydroxy-3-methoxyphenyl)octane-3,5-diyl diacetate. 4-(3,5-Dimethoxydecyl)-1,2-dimethoxybenzene. Avenaciolide, 1-dihydro-6-[2-(3-ethoxyphenyl)ethyl]-4-demethylene. (E)-4-(2-(2-(2,6-Dimethylhepta-1,5-dien-1-yl)-6-pentyl-1,3-dioxan-4-yl)ethyl)-2-methoxyphenol. Schkuhrianol. Schkuhrianol Isomer. 2H-Pyran-2-one, 6-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dihydro-4-methoxy-, (S)-. Avenaciolide, 6-[2-(3-ethoxyphenyl)ethyl]-4-demethylene. (S)-6-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one. Dimethylmalonic acid, isohexyl 4-(4-methoxyphenyl)cyclohexyl ester. Succinic acid, cyclohexylmethyl 4-(4-methoxyphenyl)cyclohexyl ester. VERAPAMIL.

Find more compounds similar to 1,7-bis(3,4-Dimethoxyphenyl)heptane-3,5-diyl diacetate.

Sources

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