Chemical Properties of 1-Adamantanecarboxylic acid chloride (CAS 2094-72-6)

InChI

InChI=1S/C11H15ClO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2

InChI Key

MIBQYWIOHFTKHD-UHFFFAOYSA-N

Formula

C11H15ClO

SMILES

O=C(Cl)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

198.69

CAS

2094-72-6

Other Names

• Tricyclo[3.3.1.1(3,7)-]decane-1-carbonyl chloride
• Adamantane-1-carbonyl chloride
• Adamantane-1-carboxylic acid chloride
• 1-Adamantanecarbonyl chloride
• 1-Adamantanoic acid chloride
• 1-Adamantoyl chloride
• 1-Adamantylcarbonyl chloride
• tricyclo(3.3.1.1'3,7)decane-1-carbonyl chloride

• 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	[379.11; 470.39]	J/mol×K	[562.44; 796.90]
Cp,gas	379.11	J/mol×K	562.44	Joback Calculated Property
Cp,gas	397.21	J/mol×K	601.52	Joback Calculated Property
Cp,gas	413.85	J/mol×K	640.59	Joback Calculated Property
Cp,gas	429.24	J/mol×K	679.67	Joback Calculated Property
Cp,gas	443.64	J/mol×K	718.75	Joback Calculated Property
Cp,gas	457.28	J/mol×K	757.82	Joback Calculated Property
Cp,gas	470.39	J/mol×K	796.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Adamantanecarboxylic acid chloride.

Sources

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

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