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

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.3495		Relay (... Calculated Property
ΔfG°	87.68	kJ/mol	Joback Calculated Property
ΔfH°gas	7.21	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.25	kJ/mol	Joback Calculated Property
ΔvapH°	55.76	kJ/mol	Relay (... Calculated Property
IE	9.93	eV	Relay (... Calculated Property
log10WS	-2.40		Relay (... Calculated Property
logPoct/wat	1.721		Crippen Calculated Property
McVol	97.660	ml/mol	McGowan Calculated Property
Pc	4311.22	kPa	Joback 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
Tboil	479.04	K	Relay (... Calculated Property
Tc	715.02	K	Relay (... Calculated Property
Tfus	306.96	K	Relay (... Calculated Property
Vc	0.328	m3/kmol	Relay (... Calculated Property

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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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