Chemical Properties of hematein

InChI

InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2

InChI Key

HLUCICHZHWJHLL-UHFFFAOYSA-N

Formula

C16H12O6

SMILES

O=C1C=C2CC3(O)COc4c(ccc(O)c4O)C3=C2C=C1O

Molecular Weight¹

300.27

• 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).
• 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°	-385.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-687.83	kJ/mol	Joback Calculated Property
ΔfusH°	41.95	kJ/mol	Joback Calculated Property
ΔvapH°	125.36	kJ/mol	Joback Calculated Property
log10WS	[-2.70; -2.70]
log10WS	-2.70		Aq. Sol...
log10WS	-2.70		Estimat...
logPoct/wat	1.330		Crippen Calculated Property
McVol	197.980	ml/mol	McGowan Calculated Property
Pc	5644.74	kPa	Joback Calculated Property
Tboil	1093.25	K	Joback Calculated Property
Tc	1348.15	K	Joback Calculated Property
Tfus	880.41	K	Joback Calculated Property
Vc	0.634	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[701.86; 909.73]	J/mol×K	[1093.25; 1348.15]
Cp,gas	701.86	J/mol×K	1093.25	Joback Calculated Property
Cp,gas	727.41	J/mol×K	1135.73	Joback Calculated Property
Cp,gas	756.08	J/mol×K	1178.22	Joback Calculated Property
Cp,gas	788.26	J/mol×K	1220.70	Joback Calculated Property
Cp,gas	824.33	J/mol×K	1263.19	Joback Calculated Property
Cp,gas	864.69	J/mol×K	1305.67	Joback Calculated Property
Cp,gas	909.73	J/mol×K	1348.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to hematein.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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