Chemical Properties of Isoacorone (CAS 6168-64-5)

InChI

InChI=1S/C15H24O2/c1-9(2)14-12(16)7-11(4)15(14)6-5-10(3)13(17)8-15/h9-11,14H,5-8H2,1-4H3/t10-,11+,14+,15+/m0/s1

InChI Key

AGUISGUERLMHFF-RBDSIQFVSA-N

Formula

C15H24O2

SMILES

CC1CCC2(CC1=O)C(C)CC(=O)C2C(C)C

Molecular Weight¹

236.35

CAS

6168-64-5

Other Names

• [1R-(1«alpha»,4«beta»,5«beta»,8S*)]-1-isopropyl-4,8-dimethylspiro[4.5]decane-2,7-dione

• 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°	-120.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-538.09	kJ/mol	Joback Calculated Property
ΔfusH°	13.82	kJ/mol	Joback Calculated Property
ΔvapH°	55.83	kJ/mol	Joback Calculated Property
log10WS	-3.24		Crippen Calculated Property
logPoct/wat	3.243		Crippen Calculated Property
McVol	203.630	ml/mol	McGowan Calculated Property
Pc	1991.21	kPa	Joback Calculated Property
Inp	[1771.00; 1820.00]
Inp	1820.00		NIST
Inp	1771.00		NIST
Inp	1813.00		NIST
Inp	1813.00		NIST
Inp	1820.00		NIST
Tboil	699.26	K	Joback Calculated Property
Tc	941.42	K	Joback Calculated Property
Tfus	417.47	K	Joback Calculated Property
Vc	0.761	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.74; 754.08]	J/mol×K	[699.26; 941.42]
Cp,gas	628.74	J/mol×K	699.26	Joback Calculated Property
Cp,gas	652.57	J/mol×K	739.62	Joback Calculated Property
Cp,gas	675.10	J/mol×K	779.98	Joback Calculated Property
Cp,gas	696.41	J/mol×K	820.34	Joback Calculated Property
Cp,gas	716.60	J/mol×K	860.70	Joback Calculated Property
Cp,gas	735.80	J/mol×K	901.06	Joback Calculated Property
Cp,gas	754.08	J/mol×K	941.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isoacorone.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.