Chemical Properties of 5,5'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzo[d][1,3]dioxole) (CAS 110269-50-6)

5,5'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzo[d][1,3]dioxole)

InChI
InChI=1S/C20H22O4/c1-13(7-15-3-5-17-19(9-15)23-11-21-17)14(2)8-16-4-6-18-20(10-16)24-12-22-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3
InChI Key
QEFJURUMSHPMTC-UHFFFAOYSA-N
Formula
C20H22O4
SMILES
CC(Cc1ccc2c(c1)OCO2)C(C)Cc1ccc2c(c1)OCO2
Molecular Weight1
326.39
CAS
110269-50-6
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Physical Properties

Property Value Unit Source
ΔfusH° 53.08 kJ/mol Joback Calculated Property
ΔvapH° 114.71 kJ/mol Relay (1.0) Calculated Property
IE 7.62 eV Relay (1.0) Calculated Property
log10WS -6.12 Relay (1.0) Calculated Property
logPoct/wat 4.201 Crippen Calculated Property
McVol 246.900 ml/mol McGowan Calculated Property
Inp [2598.30; 2598.30]   Show Hide
Inp 2598.30 NIST
Inp 2598.30 NIST
Tboil 674.87 K Relay (1.0) Calculated Property
Tfus 373.76 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [342.85; 827.25] 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-7.23480e+01
Coefficient B1.86264e+00
Coefficient C-1.36044e-03
Coefficient D3.97400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 342.85 J/mol×K 273.00 Calculated Property
Cp,gas 433.94 J/mol×K 353.78 Calculated Property
Cp,gas 512.78 J/mol×K 434.56 Calculated Property
Cp,gas 580.63 J/mol×K 515.33 Calculated Property
Cp,gas 638.74 J/mol×K 596.11 Calculated Property
Cp,gas 688.38 J/mol×K 676.89 Calculated Property
Cp,gas 730.79 J/mol×K 757.67 Calculated Property
Cp,gas 767.23 J/mol×K 838.44 Calculated Property
Cp,gas 798.97 J/mol×K 919.22 Calculated Property
Cp,gas 827.25 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0016967; 0.0004185] Pa×s [538.72; 771.11] 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-1.10239e+01
Coefficient B2.50226e+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.538.72
Temperature range, max.771.11
η 0.0016967 Pa×s 538.72 Calculated Property
η 0.0013720 Pa×s 564.54 Calculated Property
η 0.0011302 Pa×s 590.36 Calculated Property
η 0.0009463 Pa×s 616.18 Calculated Property
η 0.0008037 Pa×s 642.00 Calculated Property
η 0.0006912 Pa×s 667.82 Calculated Property
η 0.0006013 Pa×s 693.64 Calculated Property
η 0.0005282 Pa×s 719.47 Calculated Property
η 0.0004683 Pa×s 745.29 Calculated Property
η 0.0004185 Pa×s 771.11 Calculated Property

Similar Compounds

4-((2S,3R)-4-(Benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol. 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. Helional. (1R,2S,3R)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutan-1-ol. 2-Octanone, 8-(3,4-methylenedioxyphenyl). Methyl 4-(3,4-methylenedioxyphenyl)butanoate. 2-Hexanone, 6-(3,4-methylenedioxyphenyl). 2,3-Divanillyl-1,4-butanediol. Nordihydroguaiaretic acid. 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. (.+/-.)-BDB. 4-(3,4-Methylenedioxyphenyl)-2-butanone. (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one.

Find more compounds similar to 5,5'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzo[d][1,3]dioxole).

Sources

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