Chemical Properties of (1S,2R)-2-(4-allyl-2,6-Dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol-rel- (CAS 52190-20-2)

(1S,2R)-2-(4-allyl-2,6-Dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol-rel-

InChI
InChI=1S/C23H30O7/c1-8-9-15-10-17(25-3)23(18(11-15)26-4)30-14(2)21(24)16-12-19(27-5)22(29-7)20(13-16)28-6/h8,10-14,21,24H,1,9H2,2-7H3
InChI Key
KKEKLEUWEJUCRA-UHFFFAOYSA-N
Formula
C23H30O7
SMILES
C=CCc1cc(OC)c(OC(C)C(O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1
Molecular Weight1
418.48
CAS
52190-20-2
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Physical Properties

Property Value Unit Source
ΔfusH° 43.96 kJ/mol Joback Calculated Property
ΔvapH° 126.18 kJ/mol Relay (1.0) Calculated Property
IE 7.61 eV Relay (1.0) Calculated Property
log10WS -3.05 Relay (1.0) Calculated Property
logPoct/wat 3.959 Crippen Calculated Property
McVol 324.200 ml/mol McGowan Calculated Property
Inp [2970.90; 2970.90]   Show Hide
Inp 2970.90 NIST
Inp 2970.90 NIST
Tboil 709.17 K Relay (1.0) Calculated Property
Tfus 428.80 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 [488.68; 1052.86] 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 A1.51901e+02
Coefficient B1.32072e+00
Coefficient C-2.81260e-04
Coefficient D-1.38500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 488.68 J/mol×K 273.00 Calculated Property
Cp,gas 577.81 J/mol×K 353.78 Calculated Property
Cp,gas 661.35 J/mol×K 434.56 Calculated Property
Cp,gas 738.86 J/mol×K 515.33 Calculated Property
Cp,gas 809.91 J/mol×K 596.11 Calculated Property
Cp,gas 874.06 J/mol×K 676.89 Calculated Property
Cp,gas 930.87 J/mol×K 757.67 Calculated Property
Cp,gas 979.89 J/mol×K 838.44 Calculated Property
Cp,gas 1020.71 J/mol×K 919.22 Calculated Property
Cp,gas 1052.86 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0000244; 0.0000032] Pa×s [639.37; 884.06] 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-1.79704e+01
Coefficient B4.69801e+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.639.37
Temperature range, max.884.06
η 0.0000244 Pa×s 639.37 Calculated Property
η 0.0000181 Pa×s 666.56 Calculated Property
η 0.0000137 Pa×s 693.75 Calculated Property
η 0.0000106 Pa×s 720.93 Calculated Property
η 0.0000084 Pa×s 748.12 Calculated Property
η 0.0000067 Pa×s 775.31 Calculated Property
η 0.0000055 Pa×s 802.50 Calculated Property
η 0.0000045 Pa×s 829.68 Calculated Property
η 0.0000038 Pa×s 856.87 Calculated Property
η 0.0000032 Pa×s 884.06 Calculated Property

Similar Compounds

(1S,2R)-2-(4-Allyl-2-methoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol. (1S,2R)-2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)propan-1-ol. 2-(4-Allyl-2,6-dimethoxy-phenoxy)-1 -(3,4-dimethoxy-phenyl)-propan-1-ol, TMS. (1S,2R)-2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)propyl acetate. 2-(4-Allyl-2,6-dimethoxy-phenoxy)-1 -(3,4-dimethoxy-phenyl)-propan-1-ol, TES. 2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-(3,4,5-trimethoxy-phenyl)-propan-1-ol, TES. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TES. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2,6-dimethoxy-phenol, TPS. 12-O-Methylcarnosol. propyl-«delta»1-tetrahydrocannabinolic acid, TMS. Quinidine. Quinine. «delta»1-tetrahydrocannabinolic acid, TMS. Dimetindene M (nor, OH), acetylated. Silane, (1,1-dimethylethyl)dimethyl[(6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-yl)oxy]-, (6aR-trans)-.

Find more compounds similar to (1S,2R)-2-(4-allyl-2,6-Dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol-rel-.

Sources

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