Chemical Properties of Cyclohexene, 4-bromo- (CAS 3540-84-9)

InChI

InChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h1-2,6H,3-5H2

InChI Key

IDYIRPALXVSDCK-UHFFFAOYSA-N

Formula

C6H9Br

SMILES

BrC1CC=CCC1

Molecular Weight¹

161.04

CAS

3540-84-9

Other Names

• 4-Bromo-1-cyclohexene

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	50.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.64	kJ/mol	Joback Calculated Property
ΔvapH°	48.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
logPoct/wat	2.490		Crippen Calculated Property
McVol	97.740	ml/mol	McGowan Calculated Property
Inp	[969.00; 974.00]
Inp	969.00		NIST
Inp	974.00		NIST
Inp	974.00		NIST
Inp	974.00		NIST
Inp	969.00		NIST
Tboil	427.80	K	Relay (1.0) Calculated Property
Tfus	209.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[163.16; 231.47]	J/mol×K	[421.55; 650.33]
Cp,gas	163.16	J/mol×K	421.55	Joback Calculated Property
Cp,gas	176.55	J/mol×K	459.68	Joback Calculated Property
Cp,gas	189.10	J/mol×K	497.81	Joback Calculated Property
Cp,gas	200.82	J/mol×K	535.94	Joback Calculated Property
Cp,gas	211.77	J/mol×K	574.07	Joback Calculated Property
Cp,gas	221.97	J/mol×K	612.20	Joback Calculated Property
Cp,gas	231.47	J/mol×K	650.33	Joback Calculated Property
η	[0.0003761; 0.0043841]	Pa×s	[225.32; 421.55]
η	0.0043841	Pa×s	225.32	Joback Calculated Property
η	0.0022463	Pa×s	258.02	Joback Calculated Property
η	0.0013378	Pa×s	290.73	Joback Calculated Property
η	0.0008848	Pa×s	323.44	Joback Calculated Property
η	0.0006314	Pa×s	356.14	Joback Calculated Property
η	0.0004768	Pa×s	388.85	Joback Calculated Property
η	0.0003761	Pa×s	421.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 4-bromo-.

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.
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