Chemical Properties of Norbornadieone (CAS 10218-02-7)

InChI

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

InChI Key

ZESXVLLAIXOYKB-UHFFFAOYSA-N

Formula

C7H10O

SMILES

O=C1C2CCC1CC2

Molecular Weight¹

110.15

CAS

10218-02-7

Other Names

• Bicyclo[2.2.1]heptan-7-one
• Norbornan-7-one

• 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_subH° : Enthalpy of sublimation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	832.10	kJ/mol	NIST
BasG	802.40	kJ/mol	NIST
ΔcH°solid	-4002.40 ± 2.30	kJ/mol	NIST
ΔfH°gas	-134.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-181.30 ± 2.30	kJ/mol	NIST
ΔfusH°	7.57	kJ/mol	Joback Calculated Property
ΔsubH°	[47.00; 47.30]	kJ/mol
ΔsubH°	47.00 ± 2.00	kJ/mol	NIST
ΔsubH°	47.30 ± 2.20	kJ/mol	NIST
ΔvapH°	46.65	kJ/mol	NIST
IE	[9.01; 9.06]	eV
IE	9.06	eV	NIST
IE	9.01 ± 0.02	eV	NIST
logPoct/wat	1.375		Crippen Calculated Property
McVol	89.340	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.02; 269.14]	J/mol×K	[445.13; 669.43]
Cp,gas	191.02	J/mol×K	445.13	Joback Calculated Property
Cp,gas	206.16	J/mol×K	482.51	Joback Calculated Property
Cp,gas	220.39	J/mol×K	519.90	Joback Calculated Property
Cp,gas	233.77	J/mol×K	557.28	Joback Calculated Property
Cp,gas	246.33	J/mol×K	594.66	Joback Calculated Property
Cp,gas	258.10	J/mol×K	632.05	Joback Calculated Property
Cp,gas	269.14	J/mol×K	669.43	Joback Calculated Property
ΔvapH	47.90	kJ/mol	335.00	NIST

Similar Compounds

Find more compounds similar to Norbornadieone.

Sources

• 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

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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