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_fusH° : Enthalpy of fusion 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.95	kJ/mol	Joback Calculated Property
log10WS	[-2.70; -2.70]
log10WS	-2.70		Aq. Solubility Prediction
log10WS	-2.70		Estimated Solubility
logPoct/wat	1.330		Crippen Calculated Property
McVol	197.980	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[701.97; 910.00]	J/mol×K	[1093.45; 1348.40]
Cp,gas	701.97	J/mol×K	1093.45	Joback Calculated Property
Cp,gas	727.55	J/mol×K	1135.94	Joback Calculated Property
Cp,gas	756.24	J/mol×K	1178.43	Joback Calculated Property
Cp,gas	788.44	J/mol×K	1220.93	Joback Calculated Property
Cp,gas	824.54	J/mol×K	1263.42	Joback Calculated Property
Cp,gas	864.93	J/mol×K	1305.91	Joback Calculated Property
Cp,gas	910.00	J/mol×K	1348.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to hematein.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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