Chemical Properties of (1R,2S,3R)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutan-1-ol (CAS 111786-59-5)

(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
CAS
111786-59-5
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Physical Properties

Property Value Unit Source
ω 0.9164 Relay (1.0) Calculated Property
ΔfG° -47.88 kJ/mol Joback Calculated Property
ΔfH°gas -633.70 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 53.65 kJ/mol Joback Calculated Property
ΔvapH° 131.99 kJ/mol Relay (1.0) Calculated Property
IE 7.61 eV Relay (1.0) Calculated Property
log10WS -4.14 Relay (1.0) Calculated Property
logPoct/wat 3.692 Crippen Calculated Property
McVol 252.770 ml/mol McGowan Calculated Property
Pc 2204.15 kPa Joback 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
Tc 994.85 K Relay (1.0) Calculated Property
Tfus 406.56 K Relay (1.0) Calculated Property
Vc 0.974 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [829.87; 905.10] J/mol×K [951.76; 1185.39] Show Hide
Cp,gas 829.87 J/mol×K 951.76 Joback Calculated Property
Cp,gas 843.33 J/mol×K 990.70 Joback Calculated Property
Cp,gas 856.23 J/mol×K 1029.64 Joback Calculated Property
Cp,gas 868.72 J/mol×K 1068.58 Joback Calculated Property
Cp,gas 880.93 J/mol×K 1107.52 Joback Calculated Property
Cp,gas 893.01 J/mol×K 1146.46 Joback Calculated Property
Cp,gas 905.10 J/mol×K 1185.39 Joback Calculated Property
η [0.0000382; 0.0006363] Pa×s [584.54; 951.76] Show Hide
η 0.0006363 Pa×s 584.54 Joback Calculated Property
η 0.0003189 Pa×s 645.74 Joback Calculated Property
η 0.0001802 Pa×s 706.95 Joback Calculated Property
η 0.0001115 Pa×s 768.15 Joback Calculated Property
η 0.0000740 Pa×s 829.35 Joback Calculated Property
η 0.0000520 Pa×s 890.56 Joback Calculated Property
η 0.0000382 Pa×s 951.76 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. Glyceollin III, TMS. ethyl eburnamenine-14-carboxylate. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Hydroxy-N-methylcytisine. Quinine, trimethylsilyl ether. xanthosine-5'-monophosphate, TMS. Glyceollin V, TMS. inosine-5'-monophosphate, TMS.

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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