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_p : 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
Ip	[1939.00; 1987.00]
Ip	1939.00		NIST
Ip	1964.00		NIST
Ip	1987.00		NIST
Tfus	479.63	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[190.28; 581.75]	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			-1.44630e+02
Coefficient B			1.50592e+00
Coefficient C			-1.11370e-03
Coefficient D			3.34160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.28	J/mol×K	273.00	Calculated Property
Cp,gas	263.54	J/mol×K	353.78	Calculated Property
Cp,gas	326.89	J/mol×K	434.56	Calculated Property
Cp,gas	381.39	J/mol×K	515.33	Calculated Property
Cp,gas	428.10	J/mol×K	596.11	Calculated Property
Cp,gas	468.07	J/mol×K	676.89	Calculated Property
Cp,gas	502.37	J/mol×K	757.67	Calculated Property
Cp,gas	532.04	J/mol×K	838.44	Calculated Property
Cp,gas	558.15	J/mol×K	919.22	Calculated Property
Cp,gas	581.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018845; 0.0022621]	Pa×s	[316.75; 531.94]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-5.82267e+00
Coefficient B			-1.42980e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			316.75
Temperature range, max.			531.94
η	0.0018845	Pa×s	316.75	Calculated Property
η	0.0019452	Pa×s	340.66	Calculated Property
η	0.0019995	Pa×s	364.57	Calculated Property
η	0.0020483	Pa×s	388.48	Calculated Property
η	0.0020925	Pa×s	412.39	Calculated Property
η	0.0021327	Pa×s	436.30	Calculated Property
η	0.0021693	Pa×s	460.21	Calculated Property
η	0.0022028	Pa×s	484.12	Calculated Property
η	0.0022337	Pa×s	508.03	Calculated Property
η	0.0022621	Pa×s	531.94	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

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