Chemical Properties of Cyclopentanone, 2,5-dimethyl- (CAS 4041-09-2)

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

CAS

4041-09-2

Other Names

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

• 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

Property	Value	Unit	Source
ΔfG°	-85.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-285.37	kJ/mol	Joback Calculated Property
ΔfusH°	8.40	kJ/mol	Joback Calculated Property
ΔvapH°	35.37	kJ/mol	Joback Calculated Property
log10WS	-1.44		Crippen Calculated Property
logPoct/wat	1.621		Crippen Calculated Property
McVol	100.200	ml/mol	McGowan Calculated Property
Pc	3427.87	kPa	Joback Calculated Property
Inp	[855.00; 855.00]
Inp	855.00		NIST
Inp	855.00		NIST
Tboil	437.99	K	Joback Calculated Property
Tc	652.49	K	Joback Calculated Property
Tfus	243.53	K	Joback Calculated Property
Vc	0.374	m3/kmol	Joback Calculated Property

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

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

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