Chemical Properties of (6R,7S,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol (CAS 36531-08-5)

InChI

InChI=1S/C20H24O4/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/h5-6,8-12,20-22H,7H2,1-4H3

InChI Key

TZAAYUCUPIYQBR-UHFFFAOYSA-N

Formula

C20H24O4

SMILES

COc1cc(C2c3cc(O)c(OC)cc3CC(C)C2C)ccc1O

Molecular Weight¹

328.40

CAS

36531-08-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.59	kJ/mol	Joback Calculated Property
logPoct/wat	4.075		Crippen Calculated Property
McVol	257.760	ml/mol	McGowan Calculated Property
Inp	[2738.30; 2738.30]
Inp	2738.30		NIST
Inp	2738.30		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[363.68; 881.65]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.05300e+01
Coefficient B			1.83868e+00
Coefficient C			-1.27920e-03
Coefficient D			3.72700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.68	J/mol×K	273.00	Calculated Property
Cp,gas	456.35	J/mol×K	353.78	Calculated Property
Cp,gas	537.50	J/mol×K	434.56	Calculated Property
Cp,gas	608.29	J/mol×K	515.33	Calculated Property
Cp,gas	669.91	J/mol×K	596.11	Calculated Property
Cp,gas	723.54	J/mol×K	676.89	Calculated Property
Cp,gas	770.34	J/mol×K	757.67	Calculated Property
Cp,gas	811.51	J/mol×K	838.44	Calculated Property
Cp,gas	848.22	J/mol×K	919.22	Calculated Property
Cp,gas	881.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000052; 0.0000009]	Pa×s	[679.40; 824.61]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.18547e+01
Coefficient B			6.57859e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			679.40
Temperature range, max.			824.61
η	0.0000052	Pa×s	679.40	Calculated Property
η	0.0000041	Pa×s	695.53	Calculated Property
η	0.0000033	Pa×s	711.67	Calculated Property
η	0.0000027	Pa×s	727.80	Calculated Property
η	0.0000022	Pa×s	743.94	Calculated Property
η	0.0000019	Pa×s	760.07	Calculated Property
η	0.0000015	Pa×s	776.21	Calculated Property
η	0.0000013	Pa×s	792.34	Calculated Property
η	0.0000011	Pa×s	808.48	Calculated Property
η	0.0000009	Pa×s	824.61	Calculated Property

Similar Compounds

Find more compounds similar to (6R,7S,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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