Chemical Properties of 3-Carene, 2-acetyl-

InChI

InChI=1S/C12H18O/c1-7-5-6-9-11(12(9,3)4)10(7)8(2)13/h5,9-11H,6H2,1-4H3

InChI Key

XCBVDXSSPNIVAO-UHFFFAOYSA-N

Formula

C12H18O

SMILES

CC(=O)C1C(C)=CCC2C1C2(C)C

Molecular Weight¹

178.27

Other Names

• 1-(4,7,7-Trimethylbicyclo[4.1.0]hept-4-enyl)ethanone (2-Acetylcarene)

• 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 : 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	[393.08; 486.29]	J/mol×K	[540.62; 753.26]
Cp,gas	393.08	J/mol×K	540.62	Joback Calculated Property
Cp,gas	411.05	J/mol×K	576.06	Joback Calculated Property
Cp,gas	427.87	J/mol×K	611.50	Joback Calculated Property
Cp,gas	443.66	J/mol×K	646.94	Joback Calculated Property
Cp,gas	458.57	J/mol×K	682.38	Joback Calculated Property
Cp,gas	472.74	J/mol×K	717.82	Joback Calculated Property
Cp,gas	486.29	J/mol×K	753.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Carene, 2-acetyl-.

Sources

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

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