Chemical Properties of Hanphyllin (CAS 60268-40-8)

InChI

InChI=1S/C15H20O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,8,12-14,16H,3-4,6-7H2,1-2H3/b9-5+,10-8+

InChI Key

XQVSREKNQZKAKU-MUDDOMJDSA-N

Formula

C15H20O3

SMILES

C=C1C(=O)OC2C=C(C)C(O)CC=C(C)CCC12

Molecular Weight¹

248.32

CAS

60268-40-8

• 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°	-147.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-515.86	kJ/mol	Joback Calculated Property
ΔfusH°	29.33	kJ/mol	Joback Calculated Property
ΔvapH°	77.21	kJ/mol	Joback Calculated Property
log10WS	-3.56		Crippen Calculated Property
logPoct/wat	2.522		Crippen Calculated Property
McVol	200.900	ml/mol	McGowan Calculated Property
Pc	2318.07	kPa	Joback Calculated Property
Inp	[1966.00; 1966.00]
Inp	1966.00		NIST
Inp	1966.00		NIST
Tboil	775.69	K	Joback Calculated Property
Tc	1001.07	K	Joback Calculated Property
Tfus	461.66	K	Joback Calculated Property
Vc	0.736	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.65; 708.77]	J/mol×K	[775.69; 1001.07]
Cp,gas	627.65	J/mol×K	775.69	Joback Calculated Property
Cp,gas	644.79	J/mol×K	813.25	Joback Calculated Property
Cp,gas	660.50	J/mol×K	850.82	Joback Calculated Property
Cp,gas	674.78	J/mol×K	888.38	Joback Calculated Property
Cp,gas	687.59	J/mol×K	925.94	Joback Calculated Property
Cp,gas	698.93	J/mol×K	963.50	Joback Calculated Property
Cp,gas	708.77	J/mol×K	1001.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hanphyllin.

Sources

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

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