Chemical Properties of Bicyclo[2.2.2]octane, 1-bromo- (CAS 7697-09-8)

InChI

InChI=1S/C8H13Br/c9-8-4-1-7(2-5-8)3-6-8/h7H,1-6H2

InChI Key

GKIJLFQCRFWQCZ-UHFFFAOYSA-N

Formula

C8H13Br

SMILES

BrC12CCC(CC1)CC2

Molecular Weight¹

189.09

CAS

7697-09-8

Other Names

• 1-Bromobicyclo[2.2.2]octane

• ω : Acentric Factor.
• 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
ω	0.3127		Relay (1.0) Calculated Property
ΔfG°	122.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-24.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.53	kJ/mol	Joback Calculated Property
ΔvapH°	45.75	kJ/mol	Relay (1.0) Calculated Property
IE	[9.40; 9.67]	eV
IE	9.40 ± 0.10	eV	NIST
IE	9.67	eV	NIST
log10WS	-3.84		Relay (1.0) Calculated Property
logPoct/wat	3.104		Crippen Calculated Property
McVol	119.360	ml/mol	McGowan Calculated Property
Pc	4098.62	kPa	Joback Calculated Property
Tboil	464.03	K	Relay (1.0) Calculated Property
Tc	710.22	K	Relay (1.0) Calculated Property
Tfus	338.91	K	Relay (1.0) Calculated Property
Vc	0.411	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[246.97; 332.12]	J/mol×K	[470.86; 710.72]
Cp,gas	246.97	J/mol×K	470.86	Joback Calculated Property
Cp,gas	264.55	J/mol×K	510.84	Joback Calculated Property
Cp,gas	280.49	J/mol×K	550.81	Joback Calculated Property
Cp,gas	295.00	J/mol×K	590.79	Joback Calculated Property
Cp,gas	308.31	J/mol×K	630.76	Joback Calculated Property
Cp,gas	320.61	J/mol×K	670.74	Joback Calculated Property
Cp,gas	332.12	J/mol×K	710.72	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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