Chemical Properties of 1-{Bicyclo[2.2.1]heptan-2-yl}ethanone (CAS 109583-34-8)

InChI

InChI=1S/C9H14O/c1-6(10)9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3

InChI Key

NDZIFIKZHLSCFR-UHFFFAOYSA-N

Formula

C9H14O

SMILES

CC(=O)C1CC2CCC1C2

Molecular Weight¹

138.21

CAS

109583-34-8

Other Names

• Methyl norbornyl ketone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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
ΔfH°gas	-244.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.91	kJ/mol	Joback Calculated Property
ΔvapH°	56.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
logPoct/wat	2.012		Crippen Calculated Property
McVol	117.520	ml/mol	McGowan Calculated Property
Inp	[1078.00; 1078.00]
Inp	1078.00		NIST
Inp	1078.00		NIST
Tboil	468.85	K	Relay (1.0) Calculated Property
Tfus	300.65	K	Relay (1.0) Calculated Property

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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[269.06; 357.28]	J/mol×K	[472.47; 683.12]
Cp,gas	269.06	J/mol×K	472.47	Joback Calculated Property
Cp,gas	286.28	J/mol×K	507.58	Joback Calculated Property
Cp,gas	302.41	J/mol×K	542.69	Joback Calculated Property
Cp,gas	317.52	J/mol×K	577.80	Joback Calculated Property
Cp,gas	331.66	J/mol×K	612.91	Joback Calculated Property
Cp,gas	344.90	J/mol×K	648.01	Joback Calculated Property
Cp,gas	357.28	J/mol×K	683.12	Joback Calculated Property
η	[0.0008539; 0.0014655]	Pa×s	[269.24; 472.47]
η	0.0014655	Pa×s	269.24	Joback Calculated Property
η	0.0012736	Pa×s	303.11	Joback Calculated Property
η	0.0011385	Pa×s	336.98	Joback Calculated Property
η	0.0010389	Pa×s	370.86	Joback Calculated Property
η	0.0009626	Pa×s	404.73	Joback Calculated Property
η	0.0009024	Pa×s	438.60	Joback Calculated Property
η	0.0008539	Pa×s	472.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-{Bicyclo[2.2.1]heptan-2-yl}ethanone.

Sources

• Cheméo Relay (1.0)
• 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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