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_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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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).
• 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°	-57.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-145.63	kJ/mol	Joback Calculated Property
ΔfusH°	2.30	kJ/mol	Joback Calculated Property
ΔvapH°	31.83	kJ/mol	Joback 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
log10WS	-0.94		Crippen Calculated Property
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	834.90		NIST
Inp	802.00		NIST
Inp	799.00		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	623.87	K	Joback Calculated Property
Tfus	230.23	K	Joback Calculated Property
Vc	0.251	m3/kmol	Joback Calculated Property

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	Energet...

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

• 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

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