Chemical Properties of «beta»-Cyclocostunolide (CAS 2221-82-1)

InChI

InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3

InChI Key

XUYAKPXYKQEFPD-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

C=C1C(=O)OC2C1CCC1(C)CCCC(=C)C21

Molecular Weight¹

232.32

CAS

2221-82-1

• 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°	93.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-265.49	kJ/mol	Joback Calculated Property
ΔfusH°	20.55	kJ/mol	Joback Calculated Property
ΔvapH°	57.03	kJ/mol	Joback Calculated Property
log10WS	-3.74		Crippen Calculated Property
logPoct/wat	3.241		Crippen Calculated Property
McVol	188.470	ml/mol	McGowan Calculated Property
Pc	2284.95	kPa	Joback Calculated Property
Inp	[1983.40; 1983.40]
Inp	1983.40		NIST
Inp	1983.40		NIST
Tboil	668.56	K	Joback Calculated Property
Tc	911.16	K	Joback Calculated Property
Tfus	440.36	K	Joback Calculated Property
Vc	0.708	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.67; 672.06]	J/mol×K	[668.56; 911.16]
Cp,gas	558.67	J/mol×K	668.56	Joback Calculated Property
Cp,gas	580.06	J/mol×K	708.99	Joback Calculated Property
Cp,gas	600.23	J/mol×K	749.43	Joback Calculated Property
Cp,gas	619.34	J/mol×K	789.86	Joback Calculated Property
Cp,gas	637.56	J/mol×K	830.29	Joback Calculated Property
Cp,gas	655.08	J/mol×K	870.73	Joback Calculated Property
Cp,gas	672.06	J/mol×K	911.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Cyclocostunolide.

Sources

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

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