Chemical Properties of ADAMANTANDIOL-1,3

InChI

InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2

InChI Key

MOLCWHCSXCKHAP-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

OC12CC3CC(C1)CC(O)(C3)C2

Molecular Weight¹

168.24

Other Names

• 1,3-Dihydroxyadamantane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-450.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.61	kJ/mol	Joback Calculated Property
ΔvapH°	81.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
logPoct/wat	1.062		Crippen Calculated Property
McVol	130.920	ml/mol	McGowan Calculated Property
Pc	4316.89	kPa	Joback Calculated Property
Inp	[1473.00; 1493.00]
Inp	1473.00		NIST
Inp	1473.00		NIST
Inp	1479.00		NIST
Inp	Outlier 1493.00		NIST
Inp	1473.00		NIST
Inp	1479.00		NIST
Tboil	543.32	K	Relay (1.0) Calculated Property
Tc	799.21	K	Relay (1.0) Calculated Property
Tfus	466.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[395.27; 466.18]	J/mol×K	[632.86; 834.37]
Cp,gas	395.27	J/mol×K	632.86	Joback Calculated Property
Cp,gas	407.93	J/mol×K	666.45	Joback Calculated Property
Cp,gas	419.97	J/mol×K	700.03	Joback Calculated Property
Cp,gas	431.59	J/mol×K	733.62	Joback Calculated Property
Cp,gas	443.02	J/mol×K	767.20	Joback Calculated Property
Cp,gas	454.48	J/mol×K	800.79	Joback Calculated Property
Cp,gas	466.18	J/mol×K	834.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to ADAMANTANDIOL-1,3.

Sources

• Cheméo Relay (1.0)
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.