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_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°	-172.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-610.58	kJ/mol	Joback Calculated Property
ΔfusH°	46.59	kJ/mol	Joback Calculated Property
ΔvapH°	96.97	kJ/mol	Joback Calculated Property
log10WS	-4.34		Crippen Calculated Property
logPoct/wat	4.075		Crippen Calculated Property
McVol	257.760	ml/mol	McGowan Calculated Property
Pc	2127.56	kPa	Joback Calculated Property
Inp	[2738.30; 2738.30]
Inp	2738.30		NIST
Inp	2738.30		NIST
Tboil	933.05	K	Joback Calculated Property
Tc	1177.77	K	Joback Calculated Property
Tfus	679.40	K	Joback Calculated Property
Vc	0.855	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[854.14; 949.47]	J/mol×K	[933.05; 1177.77]
Cp,gas	854.14	J/mol×K	933.05	Joback Calculated Property
Cp,gas	871.11	J/mol×K	973.84	Joback Calculated Property
Cp,gas	887.44	J/mol×K	1014.62	Joback Calculated Property
Cp,gas	903.29	J/mol×K	1055.41	Joback Calculated Property
Cp,gas	918.81	J/mol×K	1096.19	Joback Calculated Property
Cp,gas	934.16	J/mol×K	1136.98	Joback Calculated Property
Cp,gas	949.47	J/mol×K	1177.77	Joback Calculated Property
η	[0.0000004; 0.0000052]	Pa×s	[679.40; 933.05]
η	0.0000052	Pa×s	679.40	Joback Calculated Property
η	0.0000029	Pa×s	721.68	Joback Calculated Property
η	0.0000018	Pa×s	763.95	Joback Calculated Property
η	0.0000011	Pa×s	806.23	Joback Calculated Property
η	0.0000008	Pa×s	848.50	Joback Calculated Property
η	0.0000005	Pa×s	890.78	Joback Calculated Property
η	0.0000004	Pa×s	933.05	Joback 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

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

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