Chemical Properties of (2R,3R,4R,5R)-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran (CAS 50393-99-2)

(2R,3R,4R,5R)-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran

InChI
InChI=1S/C24H32O7/c1-13-14(2)22(16-11-19(27-5)24(30-8)20(12-16)28-6)31-21(13)15-9-17(25-3)23(29-7)18(10-15)26-4/h9-14,21-22H,1-8H3/t13-,14-,21-,22-/m0/s1
InChI Key
ZPINJJOPURFFNV-WJWAULOUSA-N
Formula
C24H32O7
SMILES
COc1cc(C2OC(c3cc(OC)c(OC)c(OC)c3)C(C)C2C)cc(OC)c1OC
Molecular Weight1
432.51
CAS
50393-99-2
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Physical Properties

Property Value Unit Source
ΔfusH° 55.92 kJ/mol Joback Calculated Property
IE 7.36 eV Relay (1.0) Calculated Property
logPoct/wat 4.823 Crippen Calculated Property
McVol 331.730 ml/mol McGowan Calculated Property
Inp [3131.70; 3131.70]   Show Hide
Inp 3131.70 NIST
Inp 3131.70 NIST
Tboil 689.47 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 [498.76; 1136.01] 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 A1.26710e+02
Coefficient B1.43916e+00
Coefficient C-2.23260e-04
Coefficient D-2.06600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 498.76 J/mol×K 273.00 Calculated Property
Cp,gas 598.76 J/mol×K 353.78 Calculated Property
Cp,gas 692.99 J/mol×K 434.56 Calculated Property
Cp,gas 780.79 J/mol×K 515.33 Calculated Property
Cp,gas 861.51 J/mol×K 596.11 Calculated Property
Cp,gas 934.49 J/mol×K 676.89 Calculated Property
Cp,gas 999.09 J/mol×K 757.67 Calculated Property
Cp,gas 1054.64 J/mol×K 838.44 Calculated Property
Cp,gas 1100.50 J/mol×K 919.22 Calculated Property
Cp,gas 1136.01 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0001419; 0.0000558] Pa×s [646.33; 856.63] 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-1.26614e+01
Coefficient B2.45680e+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.646.33
Temperature range, max.856.63
η 0.0001419 Pa×s 646.33 Calculated Property
η 0.0001243 Pa×s 669.70 Calculated Property
η 0.0001098 Pa×s 693.06 Calculated Property
η 0.0000978 Pa×s 716.43 Calculated Property
η 0.0000878 Pa×s 739.80 Calculated Property
η 0.0000793 Pa×s 763.16 Calculated Property
η 0.0000721 Pa×s 786.53 Calculated Property
η 0.0000659 Pa×s 809.90 Calculated Property
η 0.0000605 Pa×s 833.26 Calculated Property
η 0.0000558 Pa×s 856.63 Calculated Property

Similar Compounds

(2S,3S,4S,5S)-2-(3,4-Dimethoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran. 4-((2R,3R,4R,5R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl)-2-methoxyphenol. 4-Methoxy-6-((1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole. 5-((1S,3aR,4S,6aR)-4-(3,4,5-Trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole. 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1S,3aR,4S,6aR)-. 2,4-Bis(4-methoxyphenyl)-3,5-dimethyltetrahydrofuran. 12-O-Methylcarnosol. Estra-1,3,5(10)-trien-17-one, 1-methyl-3,6,7-tris[(trifluoroacetyl)oxy]-, (6«alpha»,7«alpha»)-. 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. Noscapine. Benazepril Me. cis-1,2-Tetralinediol, ferrocenylboronate. Butorphanol di-TMS derivative. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Nalmefene, bis(trifluoroacetate).

Find more compounds similar to (2R,3R,4R,5R)-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran.

Sources

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