Chemical Properties of Cyclopentanone, 2,5-dimethyl-

InChI

InChI=1S/C7H12O/c1-5-3-4-6(2)7(5)8/h5-6H,3-4H2,1-2H3

InChI Key

MKLARKDYEBNZFK-UHFFFAOYSA-N

Formula

C7H12O

SMILES

CC1CCC(C)C1=O

Molecular Weight¹

112.17

Other Names

• 2,5-Dimethylcyclopentanone
• 2,5-dimethylcyclopentan-1-one

• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-230.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.40	kJ/mol	Joback Calculated Property
ΔvapH°	44.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-0.95		Relay (1.0) Calculated Property
logPoct/wat	1.621		Crippen Calculated Property
McVol	100.200	ml/mol	McGowan Calculated Property
Inp	[855.00; 855.00]
Inp	855.00		NIST
Inp	855.00		NIST
Tboil	417.23	K	Relay (1.0) Calculated Property
Tfus	278.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[205.74; 286.66]	J/mol×K	[437.99; 652.49]
Cp,gas	205.74	J/mol×K	437.99	Joback Calculated Property
Cp,gas	220.71	J/mol×K	473.74	Joback Calculated Property
Cp,gas	235.09	J/mol×K	509.49	Joback Calculated Property
Cp,gas	248.89	J/mol×K	545.24	Joback Calculated Property
Cp,gas	262.09	J/mol×K	580.99	Joback Calculated Property
Cp,gas	274.68	J/mol×K	616.74	Joback Calculated Property
Cp,gas	286.66	J/mol×K	652.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanone, 2,5-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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