Chemical Properties of 5-Norbornen-2-one

InChI

InChI=1S/C7H8O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-6H,3-4H2

InChI Key

HUQXEIFQYCVOPD-UHFFFAOYSA-N

Formula

C7H8O

SMILES

O=C1CC2C=CC1C2

Molecular Weight¹

108.14

Other Names

• Bicyclo(2.2.1)hept-5-en-2-one
• Dehydronorcamphor
• Norcamphor, dehydro-
• 2-Norbornen-5-one
• 2-Norbornenone
• 5-Norbornen-2-one

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	845.30	kJ/mol	NIST
BasG	813.40	kJ/mol	NIST
ΔfH°gas	-47.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.79	kJ/mol	Joback Calculated Property
ΔvapH°	46.19	kJ/mol	Relay (1.0) Calculated Property
IE	[8.86; 8.90]	eV
IE	8.86	eV	NIST
IE	8.90 ± 0.02	eV	NIST
logPoct/wat	1.151		Crippen Calculated Property
McVol	85.040	ml/mol	McGowan Calculated Property
Pc	4249.61	kPa	Joback Calculated Property
Inp	[931.00; 931.00]
Inp	931.00		NIST
Inp	931.00		NIST
Tboil	431.31	K	Relay (1.0) Calculated Property
Tc	676.55	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	[176.45; 246.79]	J/mol×K	[444.29; 671.01]
Cp,gas	176.45	J/mol×K	444.29	Joback Calculated Property
Cp,gas	190.19	J/mol×K	482.08	Joback Calculated Property
Cp,gas	203.08	J/mol×K	519.86	Joback Calculated Property
Cp,gas	215.13	J/mol×K	557.65	Joback Calculated Property
Cp,gas	226.41	J/mol×K	595.44	Joback Calculated Property
Cp,gas	236.95	J/mol×K	633.22	Joback Calculated Property
Cp,gas	246.79	J/mol×K	671.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Norbornen-2-one.

Sources

• Cheméo Relay (1.0)
• 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.