Chemical Properties of 2-Adamantanone (CAS 700-58-3)

InChI

InChI=1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2

InChI Key

IYKFYARMMIESOX-UHFFFAOYSA-N

Formula

C10H14O

SMILES

O=C1C2CC3CC(C2)CC1C3

Molecular Weight¹

150.22

CAS

700-58-3

Other Names

• 2-Adamantone
• 2-Oxoadamantane
• Adamantan-2-one
• Tricyclo[3.3.1.1(3,7)]decanone
• adamantanone
• tricyclo[3.3.1.13,7]decan-2-one

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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
ΔcH°solid	-5625.00 ± 4.00	kJ/mol	NIST
ΔfG°	73.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-231.00 ± 4.60	kJ/mol	NIST
ΔfH°solid	-311.00 ± 4.00	kJ/mol	NIST
ΔfusH°	7.63	kJ/mol	Thermod...
ΔsubH°	[66.30; 80.30]	kJ/mol
ΔsubH°	66.40 ± 0.30	kJ/mol	NIST
ΔsubH°	66.30 ± 0.80	kJ/mol	NIST
ΔsubH°	76.10 ± 1.50	kJ/mol	NIST
ΔsubH°	80.00 ± 3.00	kJ/mol	NIST
ΔsubH°	80.30 ± 2.50	kJ/mol	NIST
ΔvapH°	60.70 ± 0.20	kJ/mol	NIST
IE	[8.59; 8.80]	eV
IE	8.62	eV	NIST
IE	8.59	eV	NIST
IE	8.76	eV	NIST
IE	8.67	eV	NIST
IE	8.80 ± 0.02	eV	NIST
log10WS	-2.01		Crippen Calculated Property
logPoct/wat	2.012		Crippen Calculated Property
McVol	120.750	ml/mol	McGowan Calculated Property
Pc	3224.64	kPa	Joback Calculated Property
Inp	[1320.00; 1400.00]
Inp	1360.00		NIST
Inp	1320.00		NIST
Inp	1344.00		NIST
Inp	1357.00		NIST
Inp	1370.00		NIST
Inp	1332.00		NIST
Inp	1332.00		NIST
Inp	1379.00		NIST
Inp	1391.00		NIST
Inp	1400.00		NIST
Inp	1320.00		NIST
Inp	1320.00		NIST
I	[1867.00; 1918.00]
I	1867.00		NIST
I	1895.00		NIST
I	1918.00		NIST
Tboil	515.84	K	Joback Calculated Property
Tc	746.98	K	Joback Calculated Property
Tfus	316.74	K	Joback Calculated Property
Vc	0.465	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.43; 410.13]	J/mol×K	[515.84; 746.98]
Cp,gas	310.43	J/mol×K	515.84	Joback Calculated Property
Cp,gas	330.08	J/mol×K	554.36	Joback Calculated Property
Cp,gas	348.41	J/mol×K	592.89	Joback Calculated Property
Cp,gas	365.50	J/mol×K	631.41	Joback Calculated Property
Cp,gas	381.43	J/mol×K	669.93	Joback Calculated Property
Cp,gas	396.28	J/mol×K	708.46	Joback Calculated Property
Cp,gas	410.13	J/mol×K	746.98	Joback Calculated Property
ΔfusH	11.77	kJ/mol	557.50	NIST

Similar Compounds

Find more compounds similar to 2-Adamantanone.

Sources

• Crippen Method
• Crippen Method
• Thermodynamic properties of 2-adamantanone in the condensed and ideal gaseous states
• Joback Method
• McGowan Method
• NIST Webbook

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