Chemical Properties of 3,5-Dimethyl-1-adamantanol (CAS 707-37-9)

InChI

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

InChI Key

LBWCITVBZLTEKW-UHFFFAOYSA-N

Formula

C12H20O

SMILES

CC12CC3CC(C)(C1)CC(O)(C3)C2

Molecular Weight¹

180.29

CAS

707-37-9

Other Names

• Tricyclo[3.3.1.13,7]decan-1-ol, 3,5-dimethyl-

• 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.
• 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
ω	0.5234		Relay (... Calculated Property
ΔfG°	59.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-377.17	kJ/mol	Relay (... Calculated Property
ΔfusH°	5.41	kJ/mol	Joback Calculated Property
ΔvapH°	67.95	kJ/mol	Relay (... Calculated Property
IE	9.05	eV	Relay (... Calculated Property
log10WS	-3.55		Relay (... Calculated Property
logPoct/wat	2.728		Crippen Calculated Property
McVol	153.230	ml/mol	McGowan Calculated Property
Pc	3224.64	kPa	Joback Calculated Property
Inp	[1295.00; 1345.00]
Inp	1295.00		NIST
Inp	1315.00		NIST
Inp	1333.00		NIST
Inp	1345.00		NIST
Inp	1295.00		NIST
Inp	1295.00		NIST
I	[1807.00; 1840.00]
I	1807.00		NIST
I	1824.00		NIST
I	1840.00		NIST
I	1807.00		NIST
Tboil	521.87	K	Relay (... Calculated Property
Tc	764.16	K	Relay (... Calculated Property
Tfus	337.56	K	Relay (... Calculated Property
Vc	0.593	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.83; 525.89]	J/mol×K	[586.68; 804.17]
Cp,gas	434.83	J/mol×K	586.68	Joback Calculated Property
Cp,gas	451.63	J/mol×K	622.93	Joback Calculated Property
Cp,gas	467.30	J/mol×K	659.18	Joback Calculated Property
Cp,gas	482.20	J/mol×K	695.43	Joback Calculated Property
Cp,gas	496.69	J/mol×K	731.67	Joback Calculated Property
Cp,gas	511.13	J/mol×K	767.92	Joback Calculated Property
Cp,gas	525.89	J/mol×K	804.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dimethyl-1-adamantanol.

Sources

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

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