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

178.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	75.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-232.03	kJ/mol	Joback Calculated Property
ΔfusH°	22.88	kJ/mol	Joback Calculated Property
ΔvapH°	48.34	kJ/mol	Joback Calculated Property
log10WS	-2.60		Crippen Calculated Property
logPoct/wat	2.648		Crippen Calculated Property
McVol	148.930	ml/mol	McGowan Calculated Property
Pc	2608.40	kPa	Joback 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
Tboil	542.98	K	Joback Calculated Property
Tc	759.64	K	Joback Calculated Property
Tfus	316.75	K	Joback Calculated Property
Vc	0.575	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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