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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-144.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-543.93	kJ/mol	Joback Calculated Property
ΔfusH°	46.35	kJ/mol	Joback Calculated Property
ΔvapH°	98.23	kJ/mol	Joback Calculated Property
log10WS	-4.60		Crippen Calculated Property
logPoct/wat	4.300		Crippen Calculated Property
McVol	253.460	ml/mol	McGowan Calculated Property
Pc	2237.64	kPa	Joback Calculated Property
Inp	[2659.80; 2659.80]
Inp	2659.80		NIST
Inp	2659.80		NIST
Tboil	941.86	K	Joback Calculated Property
Tc	1188.75	K	Joback Calculated Property
Tfus	696.92	K	Joback Calculated Property
Vc	0.842	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[818.06; 910.97]	J/mol×K	[941.86; 1188.75]
Cp,gas	818.06	J/mol×K	941.86	Joback Calculated Property
Cp,gas	834.15	J/mol×K	983.01	Joback Calculated Property
Cp,gas	849.78	J/mol×K	1024.16	Joback Calculated Property
Cp,gas	865.12	J/mol×K	1065.30	Joback Calculated Property
Cp,gas	880.33	J/mol×K	1106.45	Joback Calculated Property
Cp,gas	895.56	J/mol×K	1147.60	Joback Calculated Property
Cp,gas	910.97	J/mol×K	1188.75	Joback Calculated Property
η	[0.0000003; 0.0000037]	Pa×s	[696.92; 941.86]
η	0.0000037	Pa×s	696.92	Joback Calculated Property
η	0.0000021	Pa×s	737.74	Joback Calculated Property
η	0.0000013	Pa×s	778.57	Joback Calculated Property
η	0.0000009	Pa×s	819.39	Joback Calculated Property
η	0.0000006	Pa×s	860.21	Joback Calculated Property
η	0.0000004	Pa×s	901.04	Joback Calculated Property
η	0.0000003	Pa×s	941.86	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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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