Chemical Properties of 2-Norbornanone (CAS 497-38-1)

InChI

InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2

InChI Key

KPMKEVXVVHNIEY-UHFFFAOYSA-N

Formula

C7H10O

SMILES

O=C1CC2CCC1C2

Molecular Weight¹

110.15

CAS

497-38-1

Other Names

• (±)-Bicyclo[2.2.1]heptan-2-one
• 8,9,10-trinorbornan-2-one
• Bicyclo(2.2.1)-2-heptanone
• Bicyclo[2.2.1]heptan-2-one
• Bicyclo[2.2.1]heptane-2-one
• Norbornan-2-one
• Norcampher
• Norcamphor

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	847.40	kJ/mol	NIST
BasG	815.50	kJ/mol	NIST
ΔcH°solid	[-3967.10; -3957.20]	kJ/mol
ΔcH°solid	-3967.10 ± 2.70	kJ/mol	NIST
ΔcH°solid	-3957.20 ± 4.20	kJ/mol	NIST
ΔfH°gas	-170.60 ± 4.90	kJ/mol	NIST
ΔfH°solid	-216.60 ± 2.70	kJ/mol	NIST
ΔfusH°	7.57	kJ/mol	Joback Calculated Property
ΔsubH°	[49.00; 49.00]	kJ/mol
ΔsubH°	49.00 ± 2.00	kJ/mol	NIST
ΔsubH°	49.00 ± 1.70	kJ/mol	NIST
ΔvapH°	[49.60; 51.50]	kJ/mol
ΔvapH°	50.00	kJ/mol	NIST
ΔvapH°	51.50	kJ/mol	NIST
ΔvapH°	49.60	kJ/mol	NIST
IE	[8.90; 9.17]	eV
IE	8.90	eV	NIST
IE	9.17 ± 0.02	eV	NIST
IE	9.14	eV	NIST
IE	8.94 ± 0.02	eV	NIST
logPoct/wat	1.375		Crippen Calculated Property
McVol	89.340	ml/mol	McGowan Calculated Property
Inp	[983.00; 983.00]
Inp	983.00		NIST
Inp	983.00		NIST
Tboil	443.20	K	NIST
Tfus	368.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[108.57; 340.85]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.26500e+01
Coefficient B			7.92700e-01
Coefficient C			-5.07000e-04
Coefficient D			1.27800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	108.57	J/mol×K	273.00	Calculated Property
Cp,gas	149.99	J/mol×K	353.78	Calculated Property
Cp,gas	186.57	J/mol×K	434.56	Calculated Property
Cp,gas	218.70	J/mol×K	515.33	Calculated Property
Cp,gas	246.80	J/mol×K	596.11	Calculated Property
Cp,gas	271.26	J/mol×K	676.89	Calculated Property
Cp,gas	292.49	J/mol×K	757.67	Calculated Property
Cp,gas	310.90	J/mol×K	838.44	Calculated Property
Cp,gas	326.88	J/mol×K	919.22	Calculated Property
Cp,gas	340.85	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Norbornanone.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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