Chemical Properties of 4(a)-Hydroxyadamantan-2-one

InChI

InChI=1S/C10H14O2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-9,11H,1-4H2/t5?,6?,7?,8?,9-/m0/s1

InChI Key

MDHZLHGRJCMNLA-XOBOAYSZSA-N

Formula

C10H14O2

SMILES

O=C1C2CC3CC(C2)C(O)C1C3

Molecular Weight¹

166.22

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion 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.
• 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
ω	0.5102		Relay (... Calculated Property
ΔfG°	-71.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-401.77	kJ/mol	Relay (... Calculated Property
ΔfusH°	19.70	kJ/mol	Joback Calculated Property
ΔvapH°	83.33	kJ/mol	Relay (... Calculated Property
IE	9.01	eV	Relay (... Calculated Property
log10WS	-1.84		Relay (... Calculated Property
logPoct/wat	0.982		Crippen Calculated Property
McVol	126.620	ml/mol	McGowan Calculated Property
Pc	3452.08	kPa	Joback Calculated Property
Inp	[1607.00; 1625.00]
Inp	1607.00		NIST
Inp	1618.00		NIST
Inp	1625.00		NIST
Inp	1607.00		NIST
Inp	1618.00		NIST
Tboil	541.84	K	Relay (... Calculated Property
Tc	824.70	K	Relay (... Calculated Property
Tfus	504.47	K	Relay (... Calculated Property
Vc	0.467	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[373.98; 456.86]	J/mol×K	[603.35; 816.48]
Cp,gas	373.98	J/mol×K	603.35	Joback Calculated Property
Cp,gas	390.10	J/mol×K	638.87	Joback Calculated Property
Cp,gas	405.22	J/mol×K	674.39	Joback Calculated Property
Cp,gas	419.39	J/mol×K	709.91	Joback Calculated Property
Cp,gas	432.69	J/mol×K	745.44	Joback Calculated Property
Cp,gas	445.16	J/mol×K	780.96	Joback Calculated Property
Cp,gas	456.86	J/mol×K	816.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4(a)-Hydroxyadamantan-2-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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