Chemical Properties of 2-Methyl-2-adamantanol (CAS 702-98-7)

InChI

InChI=1S/C11H18O/c1-11(12)9-3-7-2-8(5-9)6-10(11)4-7/h7-10,12H,2-6H2,1H3

InChI Key

JKOZWMQUOWYZAB-UHFFFAOYSA-N

Formula

C11H18O

SMILES

CC1(O)C2CC3CC(C2)CC1C3

Molecular Weight¹

166.26

CAS

702-98-7

Other Names

• Tricyclo(3.3.1.1(3,7))decan-2-ol, 2-methyl-
• 2-Adamantanol, 2-methyl-

• 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_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
ΔfG°	54.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-235.80	kJ/mol	Joback Calculated Property
ΔfusH°	16.48	kJ/mol	Joback Calculated Property
ΔsubH°	[91.30; 91.40]	kJ/mol
ΔsubH°	91.30 ± 0.80	kJ/mol	NIST
ΔsubH°	91.40 ± 0.30	kJ/mol	NIST
ΔvapH°	54.90	kJ/mol	Joback Calculated Property
IE	9.22	eV	NIST
log10WS	-2.52		Crippen Calculated Property
logPoct/wat	2.194		Crippen Calculated Property
McVol	139.140	ml/mol	McGowan Calculated Property
Pc	3127.99	kPa	Joback Calculated Property
Inp	[1348.00; 1394.00]
Inp	1348.00		NIST
Inp	1366.00		NIST
Inp	1381.00		NIST
Inp	1394.00		NIST
Inp	1348.00		NIST
Inp	1348.00		NIST
I	[1878.00; 1920.00]
I	1878.00		NIST
I	1899.00		NIST
I	1920.00		NIST
I	1878.00		NIST
Tboil	558.65	K	Joback Calculated Property
Tc	763.23	K	Joback Calculated Property
Tfus	340.27	K	Joback Calculated Property
Vc	0.529	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[389.42; 479.41]	J/mol×K	[558.65; 763.23]
Cp,gas	389.42	J/mol×K	558.65	Joback Calculated Property
Cp,gas	406.85	J/mol×K	592.75	Joback Calculated Property
Cp,gas	423.10	J/mol×K	626.84	Joback Calculated Property
Cp,gas	438.33	J/mol×K	660.94	Joback Calculated Property
Cp,gas	452.69	J/mol×K	695.04	Joback Calculated Property
Cp,gas	466.33	J/mol×K	729.14	Joback Calculated Property
Cp,gas	479.41	J/mol×K	763.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-2-adamantanol.

Sources

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

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