Chemical Properties of Gazaniolide (CAS 71609-02-4)

InChI

InChI=1S/C15H18O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h4-5,7,11-13H,2,6,8H2,1,3H3

InChI Key

MKOHVWLOSUZFFH-UHFFFAOYSA-N

Formula

C15H18O2

SMILES

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

Molecular Weight¹

230.30

CAS

71609-02-4

• 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°	90.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-245.64	kJ/mol	Joback Calculated Property
ΔfusH°	23.77	kJ/mol	Joback Calculated Property
ΔvapH°	58.11	kJ/mol	Joback Calculated Property
log10WS	-3.60		Crippen Calculated Property
logPoct/wat	3.017		Crippen Calculated Property
McVol	184.170	ml/mol	McGowan Calculated Property
Pc	2370.28	kPa	Joback Calculated Property
Inp	[1894.50; 1894.50]
Inp	1894.50		NIST
Inp	1894.50		NIST
Tboil	672.70	K	Joback Calculated Property
Tc	918.69	K	Joback Calculated Property
Tfus	440.72	K	Joback Calculated Property
Vc	0.696	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[536.05; 643.00]	J/mol×K	[672.70; 918.69]
Cp,gas	536.05	J/mol×K	672.70	Joback Calculated Property
Cp,gas	556.13	J/mol×K	713.70	Joback Calculated Property
Cp,gas	575.07	J/mol×K	754.70	Joback Calculated Property
Cp,gas	593.03	J/mol×K	795.69	Joback Calculated Property
Cp,gas	610.22	J/mol×K	836.69	Joback Calculated Property
Cp,gas	626.81	J/mol×K	877.69	Joback Calculated Property
Cp,gas	643.00	J/mol×K	918.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Gazaniolide.

Sources

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

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