Chemical Properties of 3-METHYL-2-PENTYLCYCLOPENT-2-ENONE

InChI

InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3

InChI Key

YCIXWYOBMVNGTB-UHFFFAOYSA-N

Formula

C11H18O

SMILES

CCCCCC1=C(C)CCC1=O

Molecular Weight¹

166.26

Other Names

• 2-Cyclopenten-1-one, 3-methyl-2-pentyl-
• Jasmone, dihydro-
• 3-Methyl-2-(n-pentanyl)-2-cyclopenten-1-one
• 2-Pentyl-3-methyl-2-cyclopenten-1-one
• 2-n-Pentyl-3-methyl-2-cyclopenten-1-one
• 3-methyl-2-pentylcyclopent-2-enone

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.06	kJ/mol	Joback Calculated Property
logPoct/wat	3.246		Crippen Calculated Property
McVol	152.260	ml/mol	McGowan Calculated Property
Inp	[1362.40; 1400.00]
Inp	1362.40		NIST
Inp	1400.00		NIST
Inp	1374.00		NIST
Inp	1362.40		NIST
I	[1842.00; 1892.00]
I	1892.00		NIST
I	1842.00		NIST
I	1892.00		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, Ionization energy, 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	[367.24; 454.82]	J/mol×K	[547.97; 755.00]
Cp,gas	367.24	J/mol×K	547.97	Joback Calculated Property
Cp,gas	383.69	J/mol×K	582.48	Joback Calculated Property
Cp,gas	399.40	J/mol×K	616.98	Joback Calculated Property
Cp,gas	414.36	J/mol×K	651.49	Joback Calculated Property
Cp,gas	428.57	J/mol×K	685.99	Joback Calculated Property
Cp,gas	442.06	J/mol×K	720.50	Joback Calculated Property
Cp,gas	454.82	J/mol×K	755.00	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[389.20; 416.70]	K	[1.60; 2.90]
Tboilr	389.20	K	1.60	NIST
Tboilr	416.70	K	2.90	NIST

Similar Compounds

Find more compounds similar to 3-METHYL-2-PENTYLCYCLOPENT-2-ENONE.

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

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