Chemical Properties of Bicyclo[2.2.1]hept-2-en-5-one (CAS 694-98-4)

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

CAS

694-98-4

Other Names

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

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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.
• 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
ω	0.3172		Relay (... Calculated Property
PAff	845.30	kJ/mol	NIST
BasG	813.40	kJ/mol	NIST
ΔfG°	24.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-47.63	kJ/mol	Relay (... Calculated Property
ΔfusH°	8.79	kJ/mol	Joback Calculated Property
ΔvapH°	46.19	kJ/mol	Relay (... Calculated Property
IE	[8.86; 8.90]	eV
IE	8.86	eV	NIST
IE	8.90 ± 0.02	eV	NIST
log10WS	-1.44		Relay (... Calculated Property
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		NIST
Tboil	431.31	K	Relay (... Calculated Property
Tc	676.55	K	Relay (... Calculated Property
Tfus	381.46	K	Relay (... Calculated Property
Vc	0.301	m3/kmol	Relay (... Calculated Property

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 Bicyclo[2.2.1]hept-2-en-5-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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