Chemical Properties of (7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-7,8-dihydronaphthalen-2-ol (CAS 135962-21-9)

(7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-7,8-dihydronaphthalen-2-ol

InChI
InChI=1S/C20H22O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-10,12,20-22H,1-4H3
InChI Key
XPWUEOIRZVEGJK-UHFFFAOYSA-N
Formula
C20H22O4
SMILES
COc1cc(C2c3cc(O)c(OC)cc3C=C(C)C2C)ccc1O
Molecular Weight1
326.39
CAS
135962-21-9
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Physical Properties

Property Value Unit Source
ΔfH°gas -419.53 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.35 kJ/mol Joback Calculated Property
ΔvapH° 137.95 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.300 Crippen Calculated Property
McVol 253.460 ml/mol McGowan Calculated Property
Inp [2659.80; 2659.80]   Show Hide
Inp 2659.80 NIST
Inp 2659.80 NIST
Tboil 663.40 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 [357.49; 840.65] 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-3.43900e+01
Coefficient B1.74968e+00
Coefficient C-1.25484e-03
Coefficient D3.80200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 357.49 J/mol×K 273.00 Calculated Property
Cp,gas 444.39 J/mol×K 353.78 Calculated Property
Cp,gas 520.18 J/mol×K 434.56 Calculated Property
Cp,gas 586.07 J/mol×K 515.33 Calculated Property
Cp,gas 643.24 J/mol×K 596.11 Calculated Property
Cp,gas 692.92 J/mol×K 676.89 Calculated Property
Cp,gas 736.30 J/mol×K 757.67 Calculated Property
Cp,gas 774.58 J/mol×K 838.44 Calculated Property
Cp,gas 808.96 J/mol×K 919.22 Calculated Property
Cp,gas 840.65 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0000037; 0.0000008] Pa×s [696.92; 832.30] 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-2.21039e+01
Coefficient B6.67926e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.696.92
Temperature range, max.832.30
η 0.0000037 Pa×s 696.92 Calculated Property
η 0.0000030 Pa×s 711.96 Calculated Property
η 0.0000025 Pa×s 727.00 Calculated Property
η 0.0000020 Pa×s 742.05 Calculated Property
η 0.0000017 Pa×s 757.09 Calculated Property
η 0.0000014 Pa×s 772.13 Calculated Property
η 0.0000012 Pa×s 787.17 Calculated Property
η 0.0000010 Pa×s 802.21 Calculated Property
η 0.0000009 Pa×s 817.26 Calculated Property
η 0.0000008 Pa×s 832.30 Calculated Property

Similar Compounds

Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. risperidone. 4'-Hydroxystanozolol (5A-Androstan-17A-methyl-4',17B-diol-3,2c-pyrazol), TMS. 5«alpha»-Androstan-17«alpha»-methyl-4«beta»,17«beta»-diol-3,2c-pyrazol, TMS. Diacetylmorphine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Methyldesorphine. PACLITAXEL. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. ethylmorphine, propionic ester. Ergocristine. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate.

Find more compounds similar to (7R,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-7,8-dihydronaphthalen-2-ol.

Sources

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