Chemical Properties of Flavanone, 5-hydroxy-3',4',6,7,8-pentamethoxy- (CAS 15512-52-4)

InChI

InChI=1S/C20H22O8/c1-23-12-7-6-10(8-14(12)24-2)13-9-11(21)15-16(22)18(25-3)20(27-5)19(26-4)17(15)28-13/h6-8,13,22H,9H2,1-5H3

InChI Key

XRMJVHGTNXEOHH-UHFFFAOYSA-N

Formula

C20H22O8

SMILES

COc1ccc(C2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)cc1OC

Molecular Weight¹

390.38

CAS

15512-52-4

• 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°	-555.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1093.36	kJ/mol	Joback Calculated Property
ΔfusH°	48.55	kJ/mol	Joback Calculated Property
ΔvapH°	102.54	kJ/mol	Joback Calculated Property
log10WS	-4.37		Crippen Calculated Property
logPoct/wat	3.142		Crippen Calculated Property
McVol	276.940	ml/mol	McGowan Calculated Property
Pc	1856.31	kPa	Joback Calculated Property
Inp	[3049.00; 3049.00]
Inp	3049.00		NIST
Inp	3049.00		NIST
Tboil	1038.74	K	Joback Calculated Property
Tc	1284.53	K	Joback Calculated Property
Tfus	775.20	K	Joback Calculated Property
Vc	0.973	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[922.53; 957.12]	J/mol×K	[1038.74; 1284.53]
Cp,gas	922.53	J/mol×K	1038.74	Joback Calculated Property
Cp,gas	933.01	J/mol×K	1079.71	Joback Calculated Property
Cp,gas	941.64	J/mol×K	1120.67	Joback Calculated Property
Cp,gas	948.40	J/mol×K	1161.64	Joback Calculated Property
Cp,gas	953.24	J/mol×K	1202.60	Joback Calculated Property
Cp,gas	956.16	J/mol×K	1243.57	Joback Calculated Property
Cp,gas	957.12	J/mol×K	1284.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Flavanone, 5-hydroxy-3',4',6,7,8-pentamethoxy-.

Sources

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

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