Chemical Properties of (2R,3R,4R,5R)-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran (CAS 50393-99-2)

InChI

InChI=1S/C24H32O7/c1-13-14(2)22(16-11-19(27-5)24(30-8)20(12-16)28-6)31-21(13)15-9-17(25-3)23(29-7)18(10-15)26-4/h9-14,21-22H,1-8H3/t13-,14-,21-,22-/m0/s1

InChI Key

ZPINJJOPURFFNV-WJWAULOUSA-N

Formula

C24H32O7

SMILES

COc1cc(C2OC(c3cc(OC)c(OC)c(OC)c3)C(C)C2C)cc(OC)c1OC

Molecular Weight¹

432.51

CAS

50393-99-2

• 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°	-384.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-1060.31	kJ/mol	Joback Calculated Property
ΔfusH°	55.92	kJ/mol	Joback Calculated Property
ΔvapH°	95.84	kJ/mol	Joback Calculated Property
log10WS	-5.70		Crippen Calculated Property
logPoct/wat	4.823		Crippen Calculated Property
McVol	331.730	ml/mol	McGowan Calculated Property
Pc	1126.08	kPa	Joback Calculated Property
Inp	[3131.70; 3131.70]
Inp	3131.70		NIST
Inp	3131.70		NIST
Tboil	994.50	K	Joback Calculated Property
Tc	1223.51	K	Joback Calculated Property
Tfus	646.33	K	Joback Calculated Property
Vc	1.230	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1133.93; 1174.92]	J/mol×K	[994.50; 1223.51]
Cp,gas	1133.93	J/mol×K	994.50	Joback Calculated Property
Cp,gas	1147.28	J/mol×K	1032.67	Joback Calculated Property
Cp,gas	1158.12	J/mol×K	1070.84	Joback Calculated Property
Cp,gas	1166.37	J/mol×K	1109.01	Joback Calculated Property
Cp,gas	1171.96	J/mol×K	1147.17	Joback Calculated Property
Cp,gas	1174.84	J/mol×K	1185.34	Joback Calculated Property
Cp,gas	1174.92	J/mol×K	1223.51	Joback Calculated Property
η	[0.0000375; 0.0001419]	Pa×s	[646.33; 994.50]
η	0.0001419	Pa×s	646.33	Joback Calculated Property
η	0.0001038	Pa×s	704.36	Joback Calculated Property
η	0.0000796	Pa×s	762.39	Joback Calculated Property
η	0.0000634	Pa×s	820.41	Joback Calculated Property
η	0.0000520	Pa×s	878.44	Joback Calculated Property
η	0.0000437	Pa×s	936.47	Joback Calculated Property
η	0.0000375	Pa×s	994.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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