Chemical Properties of Calamenone

InChI

InChI=1S/C14H22O2/c1-8-4-5-10-13(2,3)12(16)9-6-11(15)14(8,10)7-9/h8-11,15H,4-7H2,1-3H3/t8-,9?,10?,11+,14-/m0/s1

InChI Key

ZPXYQKMXCQAADS-BYYFJZQESA-N

Formula

C14H22O2

SMILES

CC1CCC2C(C)(C)C(=O)C3CC(O)C12C3

Molecular Weight¹

222.32

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[581.62; 692.00]	J/mol×K	[694.95; 915.65]
Cp,gas	581.62	J/mol×K	694.95	Joback Calculated Property
Cp,gas	600.78	J/mol×K	731.73	Joback Calculated Property
Cp,gas	619.32	J/mol×K	768.52	Joback Calculated Property
Cp,gas	637.47	J/mol×K	805.30	Joback Calculated Property
Cp,gas	655.47	J/mol×K	842.09	Joback Calculated Property
Cp,gas	673.57	J/mol×K	878.87	Joback Calculated Property
Cp,gas	692.00	J/mol×K	915.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Calamenone.

Sources

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

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