Chemical Properties of 4-((2S,3R)-4-(Benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol (CAS 107534-93-0)

4-((2S,3R)-4-(Benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol

InChI
InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3
InChI Key
QDDILOVMGWUNGD-UHFFFAOYSA-N
Formula
C20H24O4
SMILES
COc1cc(CC(C)C(C)Cc2ccc3c(c2)OCO3)ccc1O
Molecular Weight1
328.40
CAS
107534-93-0
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Physical Properties

Property Value Unit Source
ΔfusH° 47.42 kJ/mol Joback Calculated Property
ΔvapH° 122.29 kJ/mol Relay (1.0) Calculated Property
IE 7.54 eV Relay (1.0) Calculated Property
log10WS -4.92 Relay (1.0) Calculated Property
logPoct/wat 4.187 Crippen Calculated Property
McVol 257.760 ml/mol McGowan Calculated Property
Inp [2687.70; 2687.70]   Show Hide
Inp 2687.70 NIST
Inp 2687.70 NIST
Tboil 670.25 K Relay (1.0) Calculated Property
Tfus 386.59 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 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 [817.86; 904.73] J/mol×K [892.77; 1130.31] Show Hide
Cp,gas 817.86 J/mol×K 892.77 Joback Calculated Property
Cp,gas 833.68 J/mol×K 932.36 Joback Calculated Property
Cp,gas 848.76 J/mol×K 971.95 Joback Calculated Property
Cp,gas 863.27 J/mol×K 1011.54 Joback Calculated Property
Cp,gas 877.33 J/mol×K 1051.13 Joback Calculated Property
Cp,gas 891.10 J/mol×K 1090.72 Joback Calculated Property
Cp,gas 904.73 J/mol×K 1130.31 Joback Calculated Property
η [0.0000054; 0.0001032] Pa×s [584.83; 892.77] Show Hide
η 0.0001032 Pa×s 584.83 Joback Calculated Property
η 0.0000518 Pa×s 636.15 Joback Calculated Property
η 0.0000288 Pa×s 687.48 Joback Calculated Property
η 0.0000174 Pa×s 738.80 Joback Calculated Property
η 0.0000112 Pa×s 790.12 Joback Calculated Property
η 0.0000076 Pa×s 841.45 Joback Calculated Property
η 0.0000054 Pa×s 892.77 Joback Calculated Property

Similar Compounds

5,5'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzo[d][1,3]dioxole). 4,4'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(2-methoxyphenol). (2R,3R)-2,3-bis(Benzo[d][1,3]dioxol-5-ylmethyl)butane-1,4-diol. 2,3-Divanillyl-1,4-butanediol. (1R,2S,3R)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutan-1-ol. Nordihydroguaiaretic acid. Methyl 4-(3,4-methylenedioxyphenyl)butanoate. 2-Octanone, 8-(3,4-methylenedioxyphenyl). 2-Hexanone, 6-(3,4-methylenedioxyphenyl). Helional. (6R,7S,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol. (.+/-.)-BDB. 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one. 4-((2R,3R,4R,5R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl)-2-methoxyphenol.

Find more compounds similar to 4-((2S,3R)-4-(Benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol.

Sources

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