Chemical Properties of (S)-5-Allyl-1,3-dimethoxy-2-((1-(3,4,5-trimethoxyphenyl)propan-2-yl)oxy)benzene (CAS 836632-58-7)

(S)-5-Allyl-1,3-dimethoxy-2-((1-(3,4,5-trimethoxyphenyl)propan-2-yl)oxy)benzene

InChI
InChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8,11-15H,1,9-10H2,2-7H3/t15-/m1/s1
InChI Key
ZOPUPXKPXCSWAE-OAHLLOKOSA-N
Formula
C23H30O6
SMILES
C=CCc1cc(OC)c(OC(C)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1
Molecular Weight1
402.48
CAS
836632-58-7
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Physical Properties

Property Value Unit Source
ΔfusH° 43.40 kJ/mol Joback Calculated Property
ΔvapH° 114.94 kJ/mol Relay (1.0) Calculated Property
IE 7.44 eV Relay (1.0) Calculated Property
log10WS -4.03 Relay (1.0) Calculated Property
logPoct/wat 4.468 Crippen Calculated Property
McVol 318.330 ml/mol McGowan Calculated Property
Inp [2766.30; 2766.30]   Show Hide
Inp 2766.30 NIST
Inp 2766.30 NIST
Tboil 698.64 K Relay (1.0) Calculated Property
Tfus 384.63 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 [476.49; 1033.65] 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 A1.48292e+02
Coefficient B1.28082e+00
Coefficient C-2.47660e-04
Coefficient D-1.47800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 476.49 J/mol×K 273.00 Calculated Property
Cp,gas 563.88 J/mol×K 353.78 Calculated Property
Cp,gas 645.98 J/mol×K 434.56 Calculated Property
Cp,gas 722.34 J/mol×K 515.33 Calculated Property
Cp,gas 792.49 J/mol×K 596.11 Calculated Property
Cp,gas 855.95 J/mol×K 676.89 Calculated Property
Cp,gas 912.27 J/mol×K 757.67 Calculated Property
Cp,gas 960.97 J/mol×K 838.44 Calculated Property
Cp,gas 1001.59 J/mol×K 919.22 Calculated Property
Cp,gas 1033.65 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0000841; 0.0000223] Pa×s [593.55; 810.51] 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-1.43383e+01
Coefficient B2.94060e+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.593.55
Temperature range, max.810.51
η 0.0000841 Pa×s 593.55 Calculated Property
η 0.0000693 Pa×s 617.66 Calculated Property
η 0.0000579 Pa×s 641.76 Calculated Property
η 0.0000491 Pa×s 665.87 Calculated Property
η 0.0000421 Pa×s 689.98 Calculated Property
η 0.0000364 Pa×s 714.08 Calculated Property
η 0.0000318 Pa×s 738.19 Calculated Property
η 0.0000281 Pa×s 762.30 Calculated Property
η 0.0000249 Pa×s 786.41 Calculated Property
η 0.0000223 Pa×s 810.51 Calculated Property

Similar Compounds

(S)-5-Allyl-2-((1-(3,4-dimethoxyphenyl)propan-2-yl)oxy)-1,3-dimethoxybenzene. (1S,2R)-2-(4-allyl-2,6-Dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol-rel-. (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. (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, TMS. 2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-(3,4,5-trimethoxy-phenyl)-propan-1-ol, TES. 2-(4-Allyl-2,6-dimethoxy-phenoxy)-1 -(3,4-dimethoxy-phenyl)-propan-1-ol, TES. 2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-benzo[1,3]dioxol-5-yl-propan-1-ol, TMS. 2-(4-Allyl-2,6-dimethoxy-phenoxy)-1 -benzo[1,3]dioxol-5-yl-propan-1-ol, TES. Benzofuran deriv (herz). 6-Methoxyeugenyl isovalerate. 3-(3-methoxy-4-hexyloxy-phenyl)-2-methyl-propionic acid, methyl ester. Ethyleugenol. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2,6-dimethoxy-phenol, TPS.

Find more compounds similar to (S)-5-Allyl-1,3-dimethoxy-2-((1-(3,4,5-trimethoxyphenyl)propan-2-yl)oxy)benzene.

Sources

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