Chemical Properties of Nitrogen dioxide (CAS 10102-44-0)

InChI

InChI=1S/NO2/c2-1-3

InChI Key

JCXJVPUVTGWSNB-UHFFFAOYSA-N

Formula

NO2

SMILES

[O]N=O

Molecular Weight¹

46.01

CAS

10102-44-0

Other Names

• AZOTE
• NITROGEN PEROXIDE
• Nitrito
• Nitro
• Nitrogen dioxide (NO2)
• Nitrogen oxide
• Rcra waste number P078
• Stickstoffdioxid
• Stikstofdioxyde
• nitrogen oxide (NO2)

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• EA : Electron affinity (eV).
• 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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8340		KDB
PAff	591.00	kJ/mol	NIST
BasG	560.30	kJ/mol	NIST
μ	0.40	debye	KDB
EA	[1.80; 3.99]	eV
EA	2.27 ± 0.01	eV	NIST
EA	2.30 ± 0.10	eV	NIST
EA	2.27 ± 0.03	eV	NIST
EA	2.36 ± 0.10	eV	NIST
EA	2.35 ± 0.10	eV	NIST
EA	2.40 ± 0.10	eV	NIST
EA	2.28 ± 0.10	eV	NIST
EA	2.38 ± 0.06	eV	NIST
EA	2.30 ± 0.15	eV	NIST
EA	2.11 ± 0.18	eV	NIST
EA	2.80 ± 0.05	eV	NIST
EA	1.80 ± 0.05	eV	NIST
EA	2.60	eV	NIST
EA	1.80 ± 0.20	eV	NIST
EA	2.10	eV	NIST
EA	2.50 ± 0.05	eV	NIST
EA	2.50 ± 0.10	eV	NIST
EA	2.50 ± 0.10	eV	NIST
EA	2.04	eV	NIST
EA	2.07 ± 0.24	eV	NIST
EA	3.10 ± 0.05	eV	NIST
EA	Outlier 3.90 ± 0.20	eV	NIST
EA	Outlier 3.82	eV	NIST
EA	Outlier 3.99	eV	NIST
ΔfG°	52.00	kJ/mol	KDB
ΔfH°gas	33.87	kJ/mol	KDB
ΔfusH°	8.80	kJ/mol	Joback Calculated Property
ΔvapH°	32.04	kJ/mol	Joback Calculated Property
IE	[9.59; 11.23]	eV
IE	9.59 ± 0.00	eV	NIST
IE	9.60 ± 0.03	eV	NIST
IE	9.59 ± 0.00	eV	NIST
IE	11.23	eV	NIST
IE	10.40 ± 0.30	eV	NIST
IE	9.62 ± 0.01	eV	NIST
IE	9.75 ± 0.01	eV	NIST
IE	11.23	eV	NIST
log10WS	-4.90		Crippen Calculated Property
logPoct/wat	0.098		Crippen Calculated Property
McVol	26.130	ml/mol	McGowan Calculated Property
Pc	10100.00	kPa	KDB
Tboil	[294.30; 295.08]	K
Tboil	294.30	K	KDB
Tboil	295.08 ± 0.50	K	NIST
Tc	431.00	K	KDB
Tfus	261.90	K	KDB
Vc	0.168	m3/kmol	KDB
Zc	0.4729330		KDB
Zra	0.24		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[33.13; 41.93]	J/mol×K	[350.54; 561.53]
Cp,gas	33.13	J/mol×K	350.54	Joback Calculated Property
Cp,gas	35.27	J/mol×K	385.70	Joback Calculated Property
Cp,gas	37.11	J/mol×K	420.87	Joback Calculated Property
Cp,gas	38.66	J/mol×K	456.03	Joback Calculated Property
Cp,gas	39.96	J/mol×K	491.20	Joback Calculated Property
Cp,gas	41.04	J/mol×K	526.36	Joback Calculated Property
Cp,gas	41.93	J/mol×K	561.53	Joback Calculated Property
ρl	1450.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[18.74; 10124.77]	kPa	[261.95; 431.35]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.04197e+01
Coefficient B			-5.27208e+03
Coefficient C			3.95000e+01
Temperature range, min.			261.95
Temperature range, max.			431.35
Pvap	18.74	kPa	261.95	Calculated Property
Pvap	52.38	kPa	280.77	Calculated Property
Pvap	130.60	kPa	299.59	Calculated Property
Pvap	295.83	kPa	318.42	Calculated Property
Pvap	617.51	kPa	337.24	Calculated Property
Pvap	1201.80	kPa	356.06	Calculated Property
Pvap	2201.67	kPa	374.88	Calculated Property
Pvap	3826.69	kPa	393.71	Calculated Property
Pvap	6351.87	kPa	412.53	Calculated Property
Pvap	10124.77	kPa	431.35	Calculated Property

Similar Compounds

Find more compounds similar to Nitrogen dioxide.

Mixtures

• Carbon dioxide + Nitrogen dioxide

Sources

• Crippen Method
• Crippen Method
• Experimental study of high pressure phase equilibrium of (CO2 + NO2/N2O4) mixtures
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.