Chemical Properties of 1,3-Cyclobutanedione, 2,4-diethyl-2,4-dimethyl- (CAS 7116-94-1)

InChI

InChI=1S/C10H16O2/c1-5-9(3)7(11)10(4,6-2)8(9)12/h5-6H2,1-4H3

InChI Key

XDYPAGRCWAXXGS-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CCC1(C)C(=O)C(C)(CC)C1=O

Molecular Weight¹

168.23

CAS

7116-94-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.69; 457.95]	J/mol×K	[570.66; 801.02]
Cp,gas	368.69	J/mol×K	570.66	Joback Calculated Property
Cp,gas	384.95	J/mol×K	609.05	Joback Calculated Property
Cp,gas	400.42	J/mol×K	647.45	Joback Calculated Property
Cp,gas	415.28	J/mol×K	685.84	Joback Calculated Property
Cp,gas	429.71	J/mol×K	724.24	Joback Calculated Property
Cp,gas	443.87	J/mol×K	762.63	Joback Calculated Property
Cp,gas	457.95	J/mol×K	801.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclobutanedione, 2,4-diethyl-2,4-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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