Chemical Properties of 3-ethyl-1-adamantanol

InChI

InChI=1S/C12H20O/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10,13H,2-8H2,1H3

InChI Key

LJFGNNHKXSJWFF-UHFFFAOYSA-N

Formula

C12H20O

SMILES

CCC12CC3CC(CC(O)(C3)C1)C2

Molecular Weight¹

180.29

• 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°	64.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-220.86	kJ/mol	Joback Calculated Property
ΔfusH°	11.70	kJ/mol	Joback Calculated Property
ΔvapH°	56.28	kJ/mol	Joback Calculated Property
log10WS	-3.18		Crippen Calculated Property
logPoct/wat	2.728		Crippen Calculated Property
McVol	153.230	ml/mol	McGowan Calculated Property
Pc	3065.95	kPa	Joback Calculated Property
Inp	[1408.00; 1461.00]
Inp	1408.00		NIST
Inp	1429.00		NIST
Inp	1442.00		NIST
Inp	1461.00		NIST
Inp	1408.00		NIST
I	[1969.00; 2008.00]
I	1969.00		NIST
I	1988.00		NIST
I	2008.00		NIST
Tboil	586.44	K	Joback Calculated Property
Tc	795.77	K	Joback Calculated Property
Tfus	379.68	K	Joback Calculated Property
Vc	0.585	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[436.57; 527.21]	J/mol×K	[586.44; 795.77]
Cp,gas	436.57	J/mol×K	586.44	Joback Calculated Property
Cp,gas	453.66	J/mol×K	621.33	Joback Calculated Property
Cp,gas	469.62	J/mol×K	656.22	Joback Calculated Property
Cp,gas	484.71	J/mol×K	691.11	Joback Calculated Property
Cp,gas	499.17	J/mol×K	726.00	Joback Calculated Property
Cp,gas	513.26	J/mol×K	760.88	Joback Calculated Property
Cp,gas	527.21	J/mol×K	795.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-ethyl-1-adamantanol.

Sources

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

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