Chemical Properties of 3-Isothujone

InChI

InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1

InChI Key

USMNOWBWPHYOEA-MRTMQBJTSA-N

Formula

C10H16O

SMILES

CC1C(=O)CC2(C(C)C)CC12

Molecular Weight¹

152.23

• 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.
• 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	[324.27; 416.01]	J/mol×K	[504.63; 724.49]
Cp,gas	324.27	J/mol×K	504.63	Joback Calculated Property
Cp,gas	342.10	J/mol×K	541.27	Joback Calculated Property
Cp,gas	358.73	J/mol×K	577.92	Joback Calculated Property
Cp,gas	374.30	J/mol×K	614.56	Joback Calculated Property
Cp,gas	388.94	J/mol×K	651.20	Joback Calculated Property
Cp,gas	402.80	J/mol×K	687.84	Joback Calculated Property
Cp,gas	416.01	J/mol×K	724.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Isothujone.

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.