Chemical Properties of (3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one (CAS 10516-73-1)

InChI

InChI=1S/C23H28O7/c1-25-18-7-6-14(10-19(18)26-2)8-16-13-30-23(24)17(16)9-15-11-20(27-3)22(29-5)21(12-15)28-4/h6-7,10-12,16-17H,8-9,13H2,1-5H3/t16-,17+/m1/s1

InChI Key

QFFURUDOUPSWTF-SJORKVTESA-N

Formula

C23H28O7

SMILES

COc1ccc(CC2COC(=O)C2Cc2cc(OC)c(OC)c(OC)c2)cc1OC

Molecular Weight¹

416.46

CAS

10516-73-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-385.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-993.00	kJ/mol	Joback Calculated Property
ΔfusH°	49.90	kJ/mol	Joback Calculated Property
ΔvapH°	95.41	kJ/mol	Joback Calculated Property
log10WS	-4.44		Crippen Calculated Property
logPoct/wat	3.304		Crippen Calculated Property
McVol	313.340	ml/mol	McGowan Calculated Property
Pc	1321.35	kPa	Joback Calculated Property
Inp	[3234.30; 3234.30]
Inp	3234.30		NIST
Inp	3234.30		NIST
Tboil	1021.38	K	Joback Calculated Property
Tc	1259.48	K	Joback Calculated Property
Tfus	677.01	K	Joback Calculated Property
Vc	1.165	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1061.63; 1088.54]	J/mol×K	[1021.38; 1259.48]
Cp,gas	1061.63	J/mol×K	1021.38	Joback Calculated Property
Cp,gas	1072.38	J/mol×K	1061.06	Joback Calculated Property
Cp,gas	1080.50	J/mol×K	1100.75	Joback Calculated Property
Cp,gas	1085.91	J/mol×K	1140.43	Joback Calculated Property
Cp,gas	1088.54	J/mol×K	1180.11	Joback Calculated Property
Cp,gas	1088.32	J/mol×K	1219.80	Joback Calculated Property
Cp,gas	1085.18	J/mol×K	1259.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one.

Sources

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

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