Chemical Properties of 1,2,4-Cyclopentanetrione, 3-methyl-

InChI

InChI=1S/C6H6O3/c1-3-4(7)2-5(8)6(3)9/h3H,2H2,1H3

InChI Key

FUWXZDKUAHOVLL-UHFFFAOYSA-N

Formula

C6H6O3

SMILES

CC1C(=O)CC(=O)C1=O

Molecular Weight¹

126.11

Other Names

• 3-Methyl-1,2,4-cyclopentanetrione

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	3.76	kJ/mol	Joback Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.267		Crippen Calculated Property
McVol	89.250	ml/mol	McGowan Calculated Property
Inp	[1090.00; 1090.00]
Inp	1090.00		NIST
Inp	1090.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[209.83; 279.51]	J/mol×K	[555.42; 809.08]
Cp,gas	209.83	J/mol×K	555.42	Joback Calculated Property
Cp,gas	222.94	J/mol×K	597.70	Joback Calculated Property
Cp,gas	235.60	J/mol×K	639.97	Joback Calculated Property
Cp,gas	247.69	J/mol×K	682.25	Joback Calculated Property
Cp,gas	259.11	J/mol×K	724.53	Joback Calculated Property
Cp,gas	269.75	J/mol×K	766.80	Joback Calculated Property
Cp,gas	279.51	J/mol×K	809.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Cyclopentanetrione, 3-methyl-.

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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