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_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).
• IE : Ionization energy (eV).
• 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

Property	Value	Unit	Source
ΔfG°	166.41	kJ/mol	Joback Calculated Property
ΔfH°gas	16.94	kJ/mol	Joback Calculated Property
ΔfusH°	6.65	kJ/mol	Joback Calculated Property
ΔvapH°	41.79	kJ/mol	Joback Calculated Property
IE	[8.70; 8.87]	eV
IE	8.70	eV	NIST
IE	8.87	eV	NIST
log10WS	-3.78		Crippen Calculated Property
logPoct/wat	3.144		Crippen Calculated Property
McVol	127.680	ml/mol	McGowan Calculated Property
Pc	3659.77	kPa	Joback Calculated Property
Tboil	497.84	K	Joback Calculated Property
Tc	757.33	K	Joback Calculated Property
Tfus	290.72	K	Joback Calculated Property
Vc	0.468	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.16; 345.73]	J/mol×K	[497.84; 757.33]
Cp,gas	261.16	J/mol×K	497.84	Joback Calculated Property
Cp,gas	278.67	J/mol×K	541.09	Joback Calculated Property
Cp,gas	294.46	J/mol×K	584.34	Joback Calculated Property
Cp,gas	308.78	J/mol×K	627.58	Joback Calculated Property
Cp,gas	321.92	J/mol×K	670.83	Joback Calculated Property
Cp,gas	334.15	J/mol×K	714.08	Joback Calculated Property
Cp,gas	345.73	J/mol×K	757.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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