Chemical Properties of Cyclobutanone, 2,2,3-trimethyl- (CAS 1449-49-6)

InChI

InChI=1S/C7H12O/c1-5-4-6(8)7(5,2)3/h5H,4H2,1-3H3

InChI Key

XCNUTNIUANPMKW-UHFFFAOYSA-N

Formula

C7H12O

SMILES

CC1CC(=O)C1(C)C

Molecular Weight¹

112.17

CAS

1449-49-6

Other Names

• 2,2,3-Trimethylcyclobutanone

• 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	[207.76; 282.21]	J/mol×K	[433.96; 649.38]
Cp,gas	207.76	J/mol×K	433.96	Joback Calculated Property
Cp,gas	222.10	J/mol×K	469.86	Joback Calculated Property
Cp,gas	235.56	J/mol×K	505.77	Joback Calculated Property
Cp,gas	248.22	J/mol×K	541.67	Joback Calculated Property
Cp,gas	260.16	J/mol×K	577.57	Joback Calculated Property
Cp,gas	271.46	J/mol×K	613.47	Joback Calculated Property
Cp,gas	282.21	J/mol×K	649.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanone, 2,2,3-trimethyl-.

Sources

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

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