Chemical Properties of (2R,3R)-2,3-bis(Benzo[d][1,3]dioxol-5-ylmethyl)butane-1,4-diol

(2R,3R)-2,3-bis(Benzo[d][1,3]dioxol-5-ylmethyl)butane-1,4-diol

InChI
InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1
InChI Key
JKCVMTYNARDGET-HZPDHXFCSA-N
Formula
C20H22O6
SMILES
OC[C@H](Cc1ccc2c(c1)OCO2)[C@H](CO)Cc1ccc2c(c1)OCO2
Molecular Weight1
358.39
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Physical Properties

Property Value Unit Source
ΔfusH° 61.26 kJ/mol Joback Calculated Property
ΔvapH° 148.19 kJ/mol Relay (1.0) Calculated Property
IE 7.69 eV Relay (1.0) Calculated Property
log10WS -4.08 Relay (1.0) Calculated Property
logPoct/wat 2.146 Crippen Calculated Property
McVol 258.640 ml/mol McGowan Calculated Property
Inp [3182.40; 3182.40]   Show Hide
Inp 3182.40 NIST
Inp 3182.40 NIST
Tboil 733.21 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, 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 [879.35; 955.42] J/mol×K [1044.38; 1280.19] Show Hide
Cp,gas 879.35 J/mol×K 1044.38 Joback Calculated Property
Cp,gas 892.02 J/mol×K 1083.68 Joback Calculated Property
Cp,gas 904.50 J/mol×K 1122.98 Joback Calculated Property
Cp,gas 916.93 J/mol×K 1162.28 Joback Calculated Property
Cp,gas 929.45 J/mol×K 1201.59 Joback Calculated Property
Cp,gas 942.23 J/mol×K 1240.89 Joback Calculated Property
Cp,gas 955.42 J/mol×K 1280.19 Joback Calculated Property
η [0.0000045; 0.0001225] Pa×s [660.36; 1044.38] Show Hide
η 0.0001225 Pa×s 660.36 Joback Calculated Property
η 0.0000553 Pa×s 724.36 Joback Calculated Property
η 0.0000284 Pa×s 788.37 Joback Calculated Property
η 0.0000161 Pa×s 852.37 Joback Calculated Property
η 0.0000099 Pa×s 916.37 Joback Calculated Property
η 0.0000065 Pa×s 980.38 Joback Calculated Property
η 0.0000045 Pa×s 1044.38 Joback Calculated Property

Similar Compounds

2,3-Divanillyl-1,4-butanediol. 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-((7-methoxybenzo[d][1,3]dioxol-5-yl)methyl)dihydrofuran-2(3H)-one. (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. tetrahydro-3,4-dipiperonylfuran-2-ol. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one. (3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (3R)-trans-Dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone diTMS. (3R,4R)-3-((7-Methoxybenzo[d][1,3]dioxol-5-yl)methyl)-4-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (1R,2S,3R)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutan-1-ol. (2R,3R)-2,3-Bis[(3-(acetyl)oxyphenyl)methyl]butane-1,4-diol, diacetate. 5,5'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzo[d][1,3]dioxole). (3R,4R)-3,4-bis(3,4,5-Trimethoxybenzyl)dihydrofuran-2(3H)-one. 4-((2S,3R)-4-(Benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol. 5-((1S,3aR,4S,6aR)-4-(3,4,5-Trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole.

Find more compounds similar to (2R,3R)-2,3-bis(Benzo[d][1,3]dioxol-5-ylmethyl)butane-1,4-diol.

Sources

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