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_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).
• 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	[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

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

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