Chemical Properties of 4-((2R,3R,4R,5R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl)-2-methoxyphenol (CAS 114422-23-0)

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

InChI
InChI=1S/C22H28O6/c1-12-13(2)21(15-10-18(25-4)22(27-6)19(11-15)26-5)28-20(12)14-7-8-16(23)17(9-14)24-3/h7-13,20-21,23H,1-6H3/t12-,13-,20-,21-/m0/s1
InChI Key
XEDYWOVSWKYCOS-GETUCHRZSA-N
Formula
C22H28O6
SMILES
COc1cc(C2OC(c3cc(OC)c(OC)c(OC)c3)C(C)C2C)ccc1O
Molecular Weight1
388.45
CAS
114422-23-0
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -734.92 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 54.92 kJ/mol Joback Calculated Property
ΔvapH° 132.38 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.511 Crippen Calculated Property
McVol 297.680 ml/mol McGowan Calculated Property
Inp [3003.90; 3003.90]   Show Hide
Inp 3003.90 NIST
Inp 3003.90 NIST
Tboil 673.24 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 [437.31; 1024.33] 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 A4.00100e+01
Coefficient B1.64912e+00
Coefficient C-7.26900e-04
Coefficient D6.21000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 437.31 J/mol×K 273.00 Calculated Property
Cp,gas 535.20 J/mol×K 353.78 Calculated Property
Cp,gas 624.47 J/mol×K 434.56 Calculated Property
Cp,gas 705.31 J/mol×K 515.33 Calculated Property
Cp,gas 777.92 J/mol×K 596.11 Calculated Property
Cp,gas 842.49 J/mol×K 676.89 Calculated Property
Cp,gas 899.22 J/mol×K 757.67 Calculated Property
Cp,gas 948.31 J/mol×K 838.44 Calculated Property
Cp,gas 989.94 J/mol×K 919.22 Calculated Property
Cp,gas 1024.33 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0000270; 0.0000061] Pa×s [666.01; 847.24] 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-1.74868e+01
Coefficient B4.63960e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.666.01
Temperature range, max.847.24
η 0.0000270 Pa×s 666.01 Calculated Property
η 0.0000220 Pa×s 686.15 Calculated Property
η 0.0000181 Pa×s 706.28 Calculated Property
η 0.0000151 Pa×s 726.42 Calculated Property
η 0.0000127 Pa×s 746.56 Calculated Property
η 0.0000108 Pa×s 766.69 Calculated Property
η 0.0000093 Pa×s 786.83 Calculated Property
η 0.0000080 Pa×s 806.97 Calculated Property
η 0.0000069 Pa×s 827.10 Calculated Property
η 0.0000061 Pa×s 847.24 Calculated Property

Similar Compounds

(2S,3S,4S,5S)-2-(3,4-Dimethoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran. (2R,3R,4R,5R)-3,4-Dimethyl-2,5-bis(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. 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. 4-Methoxy-6-((1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole. 12-O-Methylcarnosol. Estra-1,3,5(10)-trien-17-one, 1-methyl-3,6,7-tris[(trifluoroacetyl)oxy]-, (6«alpha»,7«alpha»)-. Zinc octaethylporphyrin chloride. Nalmefene, bis(trifluoroacetate). Hydrastine. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Butorphanol di-TMS derivative. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. cis-1,2-Tetralinediol, ferrocenylboronate.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.