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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.49	kJ/mol	Joback Calculated Property
ΔvapH°	54.70 ± 0.60	kJ/mol	NIST
logPoct/wat	1.596		Crippen Calculated Property
McVol	101.960	ml/mol	McGowan Calculated Property
Inp	[1079.00; 1083.00]
Inp	1083.00		NIST
Inp	1079.00		NIST
Inp	1083.00		NIST
I	[1645.00; 1645.00]
I	1645.00		NIST
I	1645.00		NIST
Tboil	473.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[121.82; 360.18]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.26800e+01
Coefficient B			7.95260e-01
Coefficient C			-4.62000e-04
Coefficient D			8.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	121.82	J/mol×K	273.00	Calculated Property
Cp,gas	164.81	J/mol×K	353.78	Calculated Property
Cp,gas	203.01	J/mol×K	434.56	Calculated Property
Cp,gas	236.71	J/mol×K	515.33	Calculated Property
Cp,gas	266.19	J/mol×K	596.11	Calculated Property
Cp,gas	291.73	J/mol×K	676.89	Calculated Property
Cp,gas	313.62	J/mol×K	757.67	Calculated Property
Cp,gas	332.13	J/mol×K	838.44	Calculated Property
Cp,gas	347.56	J/mol×K	919.22	Calculated Property
Cp,gas	360.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane, 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.
These property values are available through the Cheméo API. A free account gives you an access key.