Chemical Properties of 2-Cyclopenten-1-one (CAS 930-30-3)

InChI

InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2

InChI Key

BZKFMUIJRXWWQK-UHFFFAOYSA-N

Formula

C5H6O

SMILES

O=C1C=CCC1

Molecular Weight¹

82.10

CAS

930-30-3

Other Names

• 1-cyclopenten-3-one
• 2-Cyclopentenone
• 2-Cyclopentenone-1
• 3-Cyclopenten-2-one
• Cyclopenten-3-one
• Cyclopentenone
• cyclopenten-2-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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-82.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	2.30	kJ/mol	Joback Calculated Property
ΔvapH°	46.37	kJ/mol	Relay (1.0) Calculated Property
IE	[8.47; 9.35]	eV
IE	8.47 ± 0.05	eV	NIST
IE	9.30	eV	NIST
IE	9.35	eV	NIST
IE	9.34 ± 0.02	eV	NIST
logPoct/wat	0.905		Crippen Calculated Property
McVol	67.720	ml/mol	McGowan Calculated Property
Pc	5001.51	kPa	Joback Calculated Property
Inp	[781.00; 834.90]
Inp	793.00		NIST
Inp	793.00		NIST
Inp	834.90		NIST
Inp	799.00		NIST
Inp	781.00		NIST
Inp	802.00		NIST
Inp	799.00		NIST
Inp	834.90		NIST
Inp	802.00		NIST
I	[1309.00; 1385.00]
I	1344.00		NIST
I	1341.00		NIST
I	1309.00		NIST
I	1313.00		NIST
I	1335.00		NIST
I	1372.00		NIST
I	1383.00		NIST
I	1372.00		NIST
I	1313.00		NIST
I	1316.00		NIST
I	1385.00		NIST
I	1385.00		NIST
I	1349.00		NIST
I	1345.00		NIST
I	1347.00		NIST
I	1342.00		NIST
I	1343.00		NIST
I	1343.00		NIST
I	1344.00		NIST
I	1344.00		NIST
Tboil	409.20	K	NIST
Tc	648.47	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, 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	[113.99; 167.52]	J/mol×K	[400.73; 623.87]
Cp,gas	113.99	J/mol×K	400.73	Joback Calculated Property
Cp,gas	124.04	J/mol×K	437.92	Joback Calculated Property
Cp,gas	133.64	J/mol×K	475.11	Joback Calculated Property
Cp,gas	142.78	J/mol×K	512.30	Joback Calculated Property
Cp,gas	151.48	J/mol×K	549.49	Joback Calculated Property
Cp,gas	159.72	J/mol×K	586.68	Joback Calculated Property
Cp,gas	167.52	J/mol×K	623.87	Joback Calculated Property
ΔvapH	52.40	kJ/mol	298.15	Energetic vs structural study of two biomass degradation derivatives: 2-Cyclopentenone and 3-methyl-2-cyclopentenone

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[313.20; 337.70]	K	[1.60; 2.50]
Tboilr	313.20	K	1.60	NIST
Tboilr	337.70	K	2.50	NIST

Similar Compounds

Find more compounds similar to 2-Cyclopenten-1-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Energetic vs structural study of two biomass degradation derivatives: 2-Cyclopentenone and 3-methyl-2-cyclopentenone
• 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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