Chemical Properties of Acorone

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-/m1/s1

InChI Key

AGUISGUERLMHFF-VIQGCOBNSA-N

Formula

C15H24O2

SMILES

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

Molecular Weight¹

236.35

• 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	[1775.00; 1820.00]
Inp	1775.00		NIST
Inp	1820.00		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 Acorone.

Sources

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

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