Chemical Properties of Bicyclo[2.2.2]octane, 1-iodo- (CAS 931-98-6)

InChI

InChI=1S/C8H13I/c9-8-4-1-7(2-5-8)3-6-8/h7H,1-6H2

InChI Key

SMDJHIPXLFNPTJ-UHFFFAOYSA-N

Formula

C8H13I

SMILES

IC12CCC(CC1)CC2

Molecular Weight¹

236.09

CAS

931-98-6

Other Names

• 1-Iodobicyclo[2.2.2]octane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	6.65	kJ/mol	Joback Calculated Property
IE	[8.70; 8.87]	eV
IE	8.70	eV	NIST
IE	8.87	eV	NIST
logPoct/wat	3.144		Crippen Calculated Property
McVol	127.680	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[261.24; 345.81]	J/mol×K	[498.04; 757.63]
Cp,gas	261.24	J/mol×K	498.04	Joback Calculated Property
Cp,gas	278.76	J/mol×K	541.30	Joback Calculated Property
Cp,gas	294.54	J/mol×K	584.57	Joback Calculated Property
Cp,gas	308.86	J/mol×K	627.83	Joback Calculated Property
Cp,gas	322.00	J/mol×K	671.10	Joback Calculated Property
Cp,gas	334.22	J/mol×K	714.36	Joback Calculated Property
Cp,gas	345.81	J/mol×K	757.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]octane, 1-iodo-.

Sources

• 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

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