Chemical Properties of Cyclohexene, 1-nitro- (CAS 2562-37-0)

InChI

InChI=1S/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2

InChI Key

DJBRXNRKYAWTBL-UHFFFAOYSA-N

Formula

C6H9NO2

SMILES

O=[N+]([O-])C1=CCCCC1

Molecular Weight¹

127.14

CAS

2562-37-0

Other Names

• 1-Nitrocyclohexene
• 1-Nitrocyclohex-1-ene
• 1-Nitro-1-cyclohexene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.25	kJ/mol	Joback Calculated Property
logPoct/wat	1.721		Crippen Calculated Property
McVol	97.660	ml/mol	McGowan Calculated Property
Inp	[1174.00; 1174.00]
Inp	1174.00		NIST
Inp	1174.00		NIST
Inp	1174.00		NIST
I	[1784.00; 1784.00]
I	1784.00		NIST
I	1784.00		NIST
I	1784.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, 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	[215.00; 281.21]	J/mol×K	[516.88; 765.52]
Cp,gas	215.00	J/mol×K	516.88	Joback Calculated Property
Cp,gas	228.26	J/mol×K	558.32	Joback Calculated Property
Cp,gas	240.57	J/mol×K	599.76	Joback Calculated Property
Cp,gas	251.98	J/mol×K	641.20	Joback Calculated Property
Cp,gas	262.53	J/mol×K	682.64	Joback Calculated Property
Cp,gas	272.26	J/mol×K	724.08	Joback Calculated Property
Cp,gas	281.21	J/mol×K	765.52	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

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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