Chemical Properties of methyl-(2-adamantyl) ketone

InChI

InChI=1S/C12H18O/c1-7(13)12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-6H2,1H3

InChI Key

SAQHGEILSGZDQP-UHFFFAOYSA-N

Formula

C12H18O

SMILES

CC(=O)C1C2CC3CC(C2)CC1C3

Molecular Weight¹

178.28

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-310.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.88	kJ/mol	Joback Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
logPoct/wat	2.648		Crippen Calculated Property
McVol	148.930	ml/mol	McGowan Calculated Property
Inp	[1445.00; 1487.00]
Inp	1445.00		NIST
Inp	1458.00		NIST
Inp	1474.00		NIST
Inp	1487.00		NIST
Inp	1445.00		NIST
I	[1939.00; 1987.00]
I	1939.00		NIST
I	1964.00		NIST
I	1987.00		NIST
Tfus	493.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[398.20; 503.14]	J/mol×K	[542.98; 759.64]
Cp,gas	398.20	J/mol×K	542.98	Joback Calculated Property
Cp,gas	418.85	J/mol×K	579.09	Joback Calculated Property
Cp,gas	438.11	J/mol×K	615.20	Joback Calculated Property
Cp,gas	456.08	J/mol×K	651.31	Joback Calculated Property
Cp,gas	472.84	J/mol×K	687.42	Joback Calculated Property
Cp,gas	488.50	J/mol×K	723.53	Joback Calculated Property
Cp,gas	503.14	J/mol×K	759.64	Joback Calculated Property
η	[0.0018845; 0.0022745]	Pa×s	[316.75; 542.98]
η	0.0018845	Pa×s	316.75	Joback Calculated Property
η	0.0019772	Pa×s	354.45	Joback Calculated Property
η	0.0020554	Pa×s	392.16	Joback Calculated Property
η	0.0021222	Pa×s	429.87	Joback Calculated Property
η	0.0021799	Pa×s	467.57	Joback Calculated Property
η	0.0022302	Pa×s	505.28	Joback Calculated Property
η	0.0022745	Pa×s	542.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to methyl-(2-adamantyl) ketone.

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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