Chemical Properties of Cyclohexane, nitro- (CAS 1122-60-7)

InChI

InChI=1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2

InChI Key

NJNQUTDUIPVROZ-UHFFFAOYSA-N

Formula

C6H11NO2

SMILES

O=[N+]([O-])C1CCCCC1

Molecular Weight¹

129.16

CAS

1122-60-7

Other Names

• Nitrocyclohexane

• 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).
• 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
ΔfG°	59.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-123.61	kJ/mol	Joback Calculated Property
ΔfusH°	14.49	kJ/mol	Joback Calculated Property
ΔvapH°	54.70 ± 0.60	kJ/mol	NIST
log10WS	-2.42		Crippen Calculated Property
logPoct/wat	1.596		Crippen Calculated Property
McVol	101.960	ml/mol	McGowan Calculated Property
Pc	4021.02	kPa	Joback Calculated Property
Inp	[1079.00; 1083.00]
Inp	1083.00		NIST
Inp	1079.00		NIST
I	[1645.00; 1645.00]
I	1645.00		NIST
I	1645.00		NIST
Tboil	508.07	K	Joback Calculated Property
Tc	752.72	K	Joback Calculated Property
Tfus	308.37	K	Joback Calculated Property
Vc	0.387	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.86; 312.38]	J/mol×K	[508.07; 752.72]
Cp,gas	233.86	J/mol×K	508.07	Joback Calculated Property
Cp,gas	249.44	J/mol×K	548.85	Joback Calculated Property
Cp,gas	263.97	J/mol×K	589.62	Joback Calculated Property
Cp,gas	277.50	J/mol×K	630.40	Joback Calculated Property
Cp,gas	290.05	J/mol×K	671.17	Joback Calculated Property
Cp,gas	301.66	J/mol×K	711.95	Joback Calculated Property
Cp,gas	312.38	J/mol×K	752.72	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Cyclohexane, nitro-.

Sources

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

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