Chemical Properties of Cyclohexene, 1-bromo- (CAS 2044-08-8)

InChI

InChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h4H,1-3,5H2

InChI Key

QBUMXSSCYUMVAW-UHFFFAOYSA-N

Formula

C6H9Br

SMILES

BrC1=CCCCC1

Molecular Weight¹

161.04

CAS

2044-08-8

Other Names

• 1-bromocyclohex-1-ene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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
ΔfH°gas	45.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.18	kJ/mol	Joback Calculated Property
ΔvapH°	41.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-2.99		Relay (1.0) Calculated Property
logPoct/wat	2.839		Crippen Calculated Property
McVol	97.740	ml/mol	McGowan Calculated Property
Pc	4652.99	kPa	Joback Calculated Property
Inp	[975.00; 975.00]
Inp	975.00		NIST
Inp	975.00		NIST
Inp	975.00		NIST
I	[1324.00; 1324.00]
I	1324.00		NIST
I	1324.00		NIST
Tboil	425.10	K	Relay (1.0) Calculated Property
Tc	644.09	K	Relay (1.0) Calculated Property
Tfus	183.32	K	Relay (1.0) Calculated Property
Vc	0.342	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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	[163.19; 226.80]	J/mol×K	[431.20; 661.96]
Cp,gas	163.19	J/mol×K	431.20	Joback Calculated Property
Cp,gas	175.69	J/mol×K	469.66	Joback Calculated Property
Cp,gas	187.38	J/mol×K	508.12	Joback Calculated Property
Cp,gas	198.30	J/mol×K	546.58	Joback Calculated Property
Cp,gas	208.48	J/mol×K	585.04	Joback Calculated Property
Cp,gas	217.97	J/mol×K	623.50	Joback Calculated Property
Cp,gas	226.80	J/mol×K	661.96	Joback Calculated Property
η	[0.0003605; 0.0044334]	Pa×s	[242.08; 431.20]
η	0.0044334	Pa×s	242.08	Joback Calculated Property
η	0.0022933	Pa×s	273.60	Joback Calculated Property
η	0.0013594	Pa×s	305.12	Joback Calculated Property
η	0.0008887	Pa×s	336.64	Joback Calculated Property
η	0.0006248	Pa×s	368.16	Joback Calculated Property
η	0.0004644	Pa×s	399.68	Joback Calculated Property
η	0.0003605	Pa×s	431.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 1-bromo-.

Sources

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

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