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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

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]
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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[818.14; 911.07]	J/mol×K	[942.06; 1189.00]
Cp,gas	818.14	J/mol×K	942.06	Joback Calculated Property
Cp,gas	834.23	J/mol×K	983.22	Joback Calculated Property
Cp,gas	849.86	J/mol×K	1024.37	Joback Calculated Property
Cp,gas	865.21	J/mol×K	1065.53	Joback Calculated Property
Cp,gas	880.42	J/mol×K	1106.69	Joback Calculated Property
Cp,gas	895.65	J/mol×K	1147.84	Joback Calculated Property
Cp,gas	911.07	J/mol×K	1189.00	Joback Calculated Property
η	[0.0000003; 0.0000037]	Pa×s	[696.92; 942.06]
η	0.0000037	Pa×s	696.92	Joback Calculated Property
η	0.0000021	Pa×s	737.78	Joback Calculated Property
η	0.0000013	Pa×s	778.63	Joback Calculated Property
η	0.0000009	Pa×s	819.49	Joback Calculated Property
η	0.0000006	Pa×s	860.35	Joback Calculated Property
η	0.0000004	Pa×s	901.20	Joback Calculated Property
η	0.0000003	Pa×s	942.06	Joback Calculated Property

Similar Compounds

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

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.
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