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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [355.03; 846.46] 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 A-6.87390e+01
Coefficient B1.90254e+00
Coefficient C-1.39404e-03
Coefficient D4.06700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 355.03 J/mol×K 273.00 Calculated Property
Cp,gas 447.87 J/mol×K 353.78 Calculated Property
Cp,gas 528.15 J/mol×K 434.56 Calculated Property
Cp,gas 597.15 J/mol×K 515.33 Calculated Property
Cp,gas 656.17 J/mol×K 596.11 Calculated Property
Cp,gas 706.48 J/mol×K 676.89 Calculated Property
Cp,gas 749.38 J/mol×K 757.67 Calculated Property
Cp,gas 786.16 J/mol×K 838.44 Calculated Property
Cp,gas 818.09 J/mol×K 919.22 Calculated Property
Cp,gas 846.46 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0006363; 0.0000738] Pa×s [584.54; 829.95] 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-1.46470e+01
Coefficient B4.25967e+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.584.54
Temperature range, max.829.95
η 0.0006363 Pa×s 584.54 Calculated Property
η 0.0004598 Pa×s 611.81 Calculated Property
η 0.0003417 Pa×s 639.08 Calculated Property
η 0.0002601 Pa×s 666.34 Calculated Property
η 0.0002023 Pa×s 693.61 Calculated Property
η 0.0001604 Pa×s 720.88 Calculated Property
η 0.0001293 Pa×s 748.15 Calculated Property
η 0.0001058 Pa×s 775.41 Calculated Property
η 0.0000878 Pa×s 802.68 Calculated Property
η 0.0000738 Pa×s 829.95 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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