Chemical Properties of 1,7-bis(4-Hydroxy-3-methoxyphenyl)heptane-3,5-diyl diacetate (CAS 135308-88-2)

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

InChI
InChI=1S/C25H32O8/c1-16(26)32-20(9-5-18-7-11-22(28)24(13-18)30-3)15-21(33-17(2)27)10-6-19-8-12-23(29)25(14-19)31-4/h7-8,11-14,20-21,28-29H,5-6,9-10,15H2,1-4H3
InChI Key
DRDZHMFYPWLHJH-UHFFFAOYSA-N
Formula
C25H32O8
SMILES
COc1cc(CCC(CC(CCc2ccc(O)c(OC)c2)OC(C)=O)OC(C)=O)ccc1O
Molecular Weight1
460.52
CAS
135308-88-2
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Physical Properties

Property Value Unit Source
ΔfusH° 63.44 kJ/mol Joback Calculated Property
ΔvapH° 164.43 kJ/mol Relay (1.0) Calculated Property
log10WS -3.70 Relay (1.0) Calculated Property
logPoct/wat 3.934 Crippen Calculated Property
McVol 353.950 ml/mol McGowan Calculated Property
Inp [3340.30; 3340.30]   Show Hide
Inp 3340.30 NIST
Inp 3340.30 NIST
Tboil 706.01 K Relay (1.0) Calculated Property
Tfus 394.49 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [1224.06; 1300.53] J/mol×K [1156.56; 1416.29] Show Hide
Cp,gas 1224.06 J/mol×K 1156.56 Joback Calculated Property
Cp,gas 1238.04 J/mol×K 1199.85 Joback Calculated Property
Cp,gas 1251.31 J/mol×K 1243.14 Joback Calculated Property
Cp,gas 1264.04 J/mol×K 1286.43 Joback Calculated Property
Cp,gas 1276.37 J/mol×K 1329.72 Joback Calculated Property
Cp,gas 1288.49 J/mol×K 1373.00 Joback Calculated Property
Cp,gas 1300.53 J/mol×K 1416.29 Joback Calculated Property
η [5.2239990e-09; 0.0000002] Pa×s [771.95; 1156.56] Show Hide
η 0.0000002 Pa×s 771.95 Joback Calculated Property
η 9.5084981e-08 Pa×s 836.05 Joback Calculated Property
η 4.5113064e-08 Pa×s 900.15 Joback Calculated Property
η 2.3634428e-08 Pa×s 964.26 Joback Calculated Property
η 1.3421138e-08 Pa×s 1028.36 Joback Calculated Property
η 8.1446758e-09 Pa×s 1092.46 Joback Calculated Property
η 5.2239990e-09 Pa×s 1156.56 Joback Calculated Property

Similar Compounds

(3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)decane-3,5-diyl diacetate. 1-(4-Hydroxy-3-methoxyphenyl)octane-3,5-diyl diacetate. 1,7-bis(3,4-Dimethoxyphenyl)heptane-3,5-diyl diacetate. 1-(3,4-Dimethoxyphenyl)decane-3,5-diyl diacetate. 4-(3,5-Dimethoxydecyl)-1,2-dimethoxybenzene. (E)-4-(2-(2-(2,6-Dimethylhepta-1,5-dien-1-yl)-6-pentyl-1,3-dioxan-4-yl)ethyl)-2-methoxyphenol. Avenaciolide, 1-dihydro-6-[2-(3-ethoxyphenyl)ethyl]-4-demethylene. 2H-Pyran-2-one, 6-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dihydro-4-methoxy-, (S)-. Schkuhrianol Isomer. Schkuhrianol. 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. VERAPAMIL. Gallopamil. 4-Methoxy-6-(4-methoxyphenethyl)-5,6-dihydro-2H-pyran-2-one.

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

Sources

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