Chemical Properties of (1R,2S,3R)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutan-1-ol

(1R,2S,3R)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutan-1-ol

InChI
InChI=1S/C20H22O5/c1-12(7-14-3-5-16-18(8-14)24-10-22-16)13(2)20(21)15-4-6-17-19(9-15)25-11-23-17/h3-6,8-9,12-13,20-21H,7,10-11H2,1-2H3
InChI Key
SDXLCXZRXWWAGW-UHFFFAOYSA-N
Formula
C20H22O5
SMILES
CC(Cc1ccc2c(c1)OCO2)C(C)C(O)c1ccc2c(c1)OCO2
Molecular Weight1
342.39
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Physical Properties

Property Value Unit Source
ΔfusH° 53.65 kJ/mol Joback Calculated Property
IE 7.61 eV Relay (1.0) Calculated Property
logPoct/wat 3.692 Crippen Calculated Property
McVol 252.770 ml/mol McGowan Calculated Property
Inp [2779.50; 2779.50]   Show Hide
Inp 2779.50 NIST
Inp 2779.50 NIST
Tboil 682.20 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [829.94; 905.18] J/mol×K [951.96; 1185.64] Show Hide
Cp,gas 829.94 J/mol×K 951.96 Joback Calculated Property
Cp,gas 843.40 J/mol×K 990.91 Joback Calculated Property
Cp,gas 856.30 J/mol×K 1029.85 Joback Calculated Property
Cp,gas 868.79 J/mol×K 1068.80 Joback Calculated Property
Cp,gas 881.00 J/mol×K 1107.75 Joback Calculated Property
Cp,gas 893.08 J/mol×K 1146.70 Joback Calculated Property
Cp,gas 905.18 J/mol×K 1185.64 Joback Calculated Property
η [0.0000382; 0.0006363] Pa×s [584.54; 951.96] Show Hide
η 0.0006363 Pa×s 584.54 Joback Calculated Property
η 0.0003188 Pa×s 645.78 Joback Calculated Property
η 0.0001801 Pa×s 707.01 Joback Calculated Property
η 0.0001114 Pa×s 768.25 Joback Calculated Property
η 0.0000740 Pa×s 829.49 Joback Calculated Property
η 0.0000520 Pa×s 890.72 Joback Calculated Property
η 0.0000382 Pa×s 951.96 Joback Calculated Property

Similar Compounds

1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1S,3aR,4S,6aR)-. (2S,3S,4S,5S)-2-(3,4-Dimethoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran. 5-((1S,3aR,4S,6aR)-4-(3,4,5-Trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole. 4-((2R,3R,4R,5R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl)-2-methoxyphenol. 2,4-Bis(4-methoxyphenyl)-3,5-dimethyltetrahydrofuran. 5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole. Quinine, trimethylsilyl ether. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. ethyl eburnamenine-14-carboxylate. xanthosine-5'-monophosphate, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Cialis. inosine-5'-monophosphate, TMS. Hydroxy-N-methylcytisine.

Find more compounds similar to (1R,2S,3R)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutan-1-ol.

Sources

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