Chemical Properties of Bicyclo[2.2.1]heptan-2-one, 3,3-dimethyl- (CAS 13211-15-9)

InChI

InChI=1S/C9H14O/c1-9(2)7-4-3-6(5-7)8(9)10/h6-7H,3-5H2,1-2H3

InChI Key

ZYPYEBYNXWUCEA-UHFFFAOYSA-N

Formula

C9H14O

SMILES

CC1(C)C(=O)C2CCC1C2

Molecular Weight¹

138.21

CAS

13211-15-9

Other Names

• 2-Norbornanone, 3,3-dimethyl-
• Camphenilone
• 3,3-Dimethylnorcamphor
• 3,3-Dimethylbicyclo[2.2.1]heptan-2-one

• 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).
• I_np : Non-polar retention indices.
• I : 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	-192.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.52	kJ/mol	Joback Calculated Property
ΔvapH°	48.80	kJ/mol	Relay (1.0) Calculated Property
IE	[8.60; 8.89]	eV
IE	8.60	eV	NIST
IE	8.89	eV	NIST
logPoct/wat	2.012		Crippen Calculated Property
McVol	117.520	ml/mol	McGowan Calculated Property
Inp	[1036.00; 1086.00]
Inp	1083.00		NIST
Inp	1085.00		NIST
Inp	1082.00		NIST
Inp	1059.00		NIST
Inp	1086.00		NIST
Inp	1070.00		NIST
Inp	1082.00		NIST
Inp	1082.00		NIST
Inp	1083.00		NIST
Inp	Outlier 1036.00		NIST
Inp	1084.00		NIST
Inp	1078.00		NIST
Inp	1083.00		NIST
Inp	1086.00		NIST
Inp	1083.00		NIST
Inp	1082.00		NIST
I	[1456.00; 1474.00]
I	1456.00		NIST
I	1474.00		NIST
I	1474.00		NIST
I	1474.00		NIST
I	1456.00		NIST
Tboil	457.72	K	Relay (1.0) Calculated Property
Tfus	390.41	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	[278.51; 368.63]	J/mol×K	[486.46; 713.39]
Cp,gas	278.51	J/mol×K	486.46	Joback Calculated Property
Cp,gas	296.15	J/mol×K	524.28	Joback Calculated Property
Cp,gas	312.56	J/mol×K	562.10	Joback Calculated Property
Cp,gas	327.88	J/mol×K	599.93	Joback Calculated Property
Cp,gas	342.24	J/mol×K	637.75	Joback Calculated Property
Cp,gas	355.78	J/mol×K	675.57	Joback Calculated Property
Cp,gas	368.63	J/mol×K	713.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptan-2-one, 3,3-dimethyl-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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