Chemical Properties of Shinflavanone (CAS 157414-03-4)

InChI

InChI=1S/C25H26O4/c1-15(2)5-6-16-13-17(7-9-20(16)26)23-14-21(27)18-8-10-22-19(24(18)28-23)11-12-25(3,4)29-22/h5,7-13,23,26H,6,14H2,1-4H3

InChI Key

NEIURIYDQMKXIG-UHFFFAOYSA-N

Formula

C25H26O4

SMILES

CC(C)=CCc1cc(C2CC(=O)c3ccc4c(c3O2)C=CC(C)(C)O4)ccc1O

Molecular Weight¹

390.47

CAS

157414-03-4

• 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°	89.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-397.43	kJ/mol	Joback Calculated Property
ΔfusH°	54.17	kJ/mol	Joback Calculated Property
ΔvapH°	104.07	kJ/mol	Joback Calculated Property
log10WS	-7.47		Crippen Calculated Property
logPoct/wat	5.792		Crippen Calculated Property
McVol	304.450	ml/mol	McGowan Calculated Property
Pc	1733.22	kPa	Joback Calculated Property
Inp	[3328.90; 3328.90]
Inp	3328.90		NIST
Inp	3328.90		NIST
Tboil	1072.48	K	Joback Calculated Property
Tc	1339.34	K	Joback Calculated Property
Tfus	741.97	K	Joback Calculated Property
Vc	1.097	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1069.95; 1260.24]	J/mol×K	[1072.48; 1339.34]
Cp,gas	1069.95	J/mol×K	1072.48	Joback Calculated Property
Cp,gas	1096.62	J/mol×K	1116.96	Joback Calculated Property
Cp,gas	1124.80	J/mol×K	1161.43	Joback Calculated Property
Cp,gas	1154.87	J/mol×K	1205.91	Joback Calculated Property
Cp,gas	1187.20	J/mol×K	1250.39	Joback Calculated Property
Cp,gas	1222.20	J/mol×K	1294.86	Joback Calculated Property
Cp,gas	1260.24	J/mol×K	1339.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Shinflavanone.

Sources

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

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