Chemical Properties of 1-Adamantaneacetic acid (CAS 4942-47-6)

InChI

InChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)

InChI Key

AOTQGWFNFTVXNQ-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

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

Molecular Weight¹

194.27

CAS

4942-47-6

Other Names

• Tricyclo[3.3.1.1(3,7)-]decane-1-acetic acid
• 1-Adamantylacetic acid
• tricyclo[3.3.1.13,7]dec-1-ylacetic acid

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[460.29; 544.02]	J/mol×K	[640.07; 848.95]
Cp,gas	460.29	J/mol×K	640.07	Joback Calculated Property
Cp,gas	475.95	J/mol×K	674.88	Joback Calculated Property
Cp,gas	490.70	J/mol×K	709.70	Joback Calculated Property
Cp,gas	504.72	J/mol×K	744.51	Joback Calculated Property
Cp,gas	518.16	J/mol×K	779.32	Joback Calculated Property
Cp,gas	531.21	J/mol×K	814.14	Joback Calculated Property
Cp,gas	544.02	J/mol×K	848.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Adamantaneacetic acid.

Sources

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

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