Chemical Properties of 1-ADAMANTANECARBONYL CHLORIDE

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

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_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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, 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	[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-ADAMANTANECARBONYL CHLORIDE.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.