Chemical Properties of 4-((2R,3R,4R,5R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl)-2-methoxyphenol (CAS 114422-23-0)

InChI

InChI=1S/C22H28O6/c1-12-13(2)21(15-10-18(25-4)22(27-6)19(11-15)26-5)28-20(12)14-7-8-16(23)17(9-14)24-3/h7-13,20-21,23H,1-6H3/t12-,13-,20-,21-/m0/s1

InChI Key

XEDYWOVSWKYCOS-GETUCHRZSA-N

Formula

C22H28O6

SMILES

COc1cc(C2OC(c3cc(OC)c(OC)c(OC)c3)C(C)C2C)ccc1O

Molecular Weight¹

388.45

CAS

114422-23-0

• 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°	-326.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-908.96	kJ/mol	Joback Calculated Property
ΔfusH°	54.92	kJ/mol	Joback Calculated Property
ΔvapH°	98.26	kJ/mol	Joback Calculated Property
log10WS	-5.01		Crippen Calculated Property
logPoct/wat	4.511		Crippen Calculated Property
McVol	297.680	ml/mol	McGowan Calculated Property
Pc	1508.15	kPa	Joback Calculated Property
Inp	[3003.90; 3003.90]
Inp	3003.90		NIST
Inp	3003.90		NIST
Tboil	974.56	K	Joback Calculated Property
Tc	1210.10	K	Joback Calculated Property
Tfus	666.01	K	Joback Calculated Property
Vc	1.048	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1014.27; 1081.22]	J/mol×K	[974.56; 1210.10]
Cp,gas	1014.27	J/mol×K	974.56	Joback Calculated Property
Cp,gas	1029.50	J/mol×K	1013.82	Joback Calculated Property
Cp,gas	1043.07	J/mol×K	1053.07	Joback Calculated Property
Cp,gas	1055.00	J/mol×K	1092.33	Joback Calculated Property
Cp,gas	1065.33	J/mol×K	1131.58	Joback Calculated Property
Cp,gas	1074.06	J/mol×K	1170.84	Joback Calculated Property
Cp,gas	1081.22	J/mol×K	1210.10	Joback Calculated Property
η	[0.0000030; 0.0000270]	Pa×s	[666.01; 974.56]
η	0.0000270	Pa×s	666.01	Joback Calculated Property
η	0.0000164	Pa×s	717.43	Joback Calculated Property
η	0.0000106	Pa×s	768.86	Joback Calculated Property
η	0.0000073	Pa×s	820.29	Joback Calculated Property
η	0.0000052	Pa×s	871.71	Joback Calculated Property
η	0.0000039	Pa×s	923.13	Joback Calculated Property
η	0.0000030	Pa×s	974.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-((2R,3R,4R,5R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl)-2-methoxyphenol.

Sources

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

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