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-

• 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°	59.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-205.62	kJ/mol	Joback Calculated Property
ΔfusH°	5.41	kJ/mol	Joback Calculated Property
ΔvapH°	55.13	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	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	586.68	K	Joback Calculated Property
Tc	804.17	K	Joback Calculated Property
Tfus	403.58	K	Joback Calculated Property
Vc	0.583	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.