Chemical Properties of ethyl-(1-adamantyl) ketone

InChI

InChI=1S/C13H20O/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3

InChI Key

CUQIZWVVFUGCDM-UHFFFAOYSA-N

Formula

C13H20O

SMILES

CCC(=O)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

192.30

• 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).
• 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°	86.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-217.09	kJ/mol	Joback Calculated Property
ΔfusH°	18.10	kJ/mol	Joback Calculated Property
ΔvapH°	49.73	kJ/mol	Joback Calculated Property
log10WS	-3.26		Crippen Calculated Property
logPoct/wat	3.182		Crippen Calculated Property
McVol	163.020	ml/mol	McGowan Calculated Property
Pc	2561.10	kPa	Joback Calculated Property
Inp	[1529.00; 1574.00]
Inp	1529.00		NIST
Inp	1547.00		NIST
Inp	1560.00		NIST
Inp	1574.00		NIST
Inp	1529.00		NIST
I	[2022.00; 2047.00]
I	2022.00		NIST
I	2047.00		NIST
I	2022.00		NIST
Tboil	570.77	K	Joback Calculated Property
Tc	792.44	K	Joback Calculated Property
Tfus	356.16	K	Joback Calculated Property
Vc	0.629	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[446.92; 551.24]	J/mol×K	[570.77; 792.44]
Cp,gas	446.92	J/mol×K	570.77	Joback Calculated Property
Cp,gas	467.25	J/mol×K	607.71	Joback Calculated Property
Cp,gas	486.13	J/mol×K	644.66	Joback Calculated Property
Cp,gas	503.77	J/mol×K	681.60	Joback Calculated Property
Cp,gas	520.37	J/mol×K	718.55	Joback Calculated Property
Cp,gas	536.12	J/mol×K	755.49	Joback Calculated Property
Cp,gas	551.24	J/mol×K	792.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to ethyl-(1-adamantyl) ketone.

Sources

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

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