Chemical Properties of 3-ethyl-5,7-dimethyl-1-adamantanol

InChI

InChI=1S/C14H24O/c1-4-13-6-11(2)5-12(3,7-13)9-14(15,8-11)10-13/h15H,4-10H2,1-3H3

InChI Key

DYHYRNOUWAAUDI-UHFFFAOYSA-N

Formula

C14H24O

SMILES

CCC12CC3(C)CC(C)(CC(O)(C3)C1)C2

Molecular Weight¹

208.34

• 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°	70.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-231.66	kJ/mol	Joback Calculated Property
ΔfusH°	4.29	kJ/mol	Joback Calculated Property
ΔvapH°	58.44	kJ/mol	Joback Calculated Property
log10WS	-4.02		Crippen Calculated Property
logPoct/wat	3.508		Crippen Calculated Property
McVol	181.410	ml/mol	McGowan Calculated Property
Pc	2746.90	kPa	Joback Calculated Property
Inp	[1421.00; 1466.00]
Inp	1421.00		NIST
Inp	1440.00		NIST
Inp	1454.00		NIST
Inp	1466.00		NIST
Inp	1421.00		NIST
I	[1909.00; 1948.00]
I	1909.00		NIST
I	1932.00		NIST
I	1948.00		NIST
I	1909.00		NIST
Tboil	632.68	K	Joback Calculated Property
Tc	850.73	K	Joback Calculated Property
Tfus	450.02	K	Joback Calculated Property
Vc	0.693	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[533.79; 638.01]	J/mol×K	[632.68; 850.73]
Cp,gas	533.79	J/mol×K	632.68	Joback Calculated Property
Cp,gas	551.29	J/mol×K	669.02	Joback Calculated Property
Cp,gas	568.13	J/mol×K	705.36	Joback Calculated Property
Cp,gas	584.76	J/mol×K	741.71	Joback Calculated Property
Cp,gas	601.64	J/mol×K	778.05	Joback Calculated Property
Cp,gas	619.24	J/mol×K	814.39	Joback Calculated Property
Cp,gas	638.01	J/mol×K	850.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-ethyl-5,7-dimethyl-1-adamantanol.

Sources

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

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