Chemical Properties of Cyclohexene, 3-chloro- (CAS 2441-97-6)

InChI

InChI=1S/C6H9Cl/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2

InChI Key

LNGQLHZIYFQUIR-UHFFFAOYSA-N

Formula

C6H9Cl

SMILES

ClC1C=CCCC1

Molecular Weight¹

116.59

CAS

2441-97-6

Other Names

• 3-Cyclohexenyl chloride
• 3-Chloro-1-cyclohexene
• 3-Chlorocyclohexene
• 3-Chlorocyclohexene-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• I : 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
ΔfusH°	8.55	kJ/mol	Joback Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
logPoct/wat	2.334		Crippen Calculated Property
McVol	92.480	ml/mol	McGowan Calculated Property
Inp	[857.00; 887.00]
Inp	887.00		NIST
Inp	857.00		NIST
Inp	857.00		NIST
I	[1215.00; 1215.00]
I	1215.00		NIST
I	1215.00		NIST
Tboil	417.52	K	Relay (1.0) Calculated Property
Tfus	191.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[151.19; 219.75]	J/mol×K	[392.82; 608.17]
Cp,gas	151.19	J/mol×K	392.82	Joback Calculated Property
Cp,gas	164.37	J/mol×K	428.71	Joback Calculated Property
Cp,gas	176.82	J/mol×K	464.60	Joback Calculated Property
Cp,gas	188.56	J/mol×K	500.49	Joback Calculated Property
Cp,gas	199.61	J/mol×K	536.39	Joback Calculated Property
Cp,gas	210.00	J/mol×K	572.28	Joback Calculated Property
Cp,gas	219.75	J/mol×K	608.17	Joback Calculated Property
η	[0.0003137; 0.0049779]	Pa×s	[195.44; 392.82]
η	0.0049779	Pa×s	195.44	Joback Calculated Property
η	0.0022533	Pa×s	228.34	Joback Calculated Property
η	0.0012453	Pa×s	261.23	Joback Calculated Property
η	0.0007859	Pa×s	294.13	Joback Calculated Property
η	0.0005441	Pa×s	327.03	Joback Calculated Property
η	0.0004029	Pa×s	359.92	Joback Calculated Property
η	0.0003137	Pa×s	392.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexene, 3-chloro-.

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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