Chemical Properties of dinitrogen tetraoxide (CAS 10544-72-6)

InChI

InChI=1S/N2O4/c3-1(4)2(5)6

InChI Key

WFPZPJSADLPSON-UHFFFAOYSA-N

Formula

N2O4

SMILES

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

Molecular Weight¹

92.01

CAS

10544-72-6

Other Names

• Dinitrogen tetroxide
• Nitrogen tetroxide
• nitrogen peroxide

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_triple : Triple Point 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).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• V_COSTALD : COSTALD Characteristic Volume (m³/kmol).
• ω_SRK : SRK acentric factor.
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.8533; 0.8539]
ω	0.8539		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.8533		ChemSep v8.3 pure component data Compiled value
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	97.85	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	[9.16; 10.77]	kJ/mol
ΔfH°gas	10.77 ± 0.13	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfH°gas	9.16	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	18.48	kJ/mol	Joback Calculated Property
ΔvapH°	48.30	kJ/mol	Relay (1.0) Calculated Property
IE	[10.80; 11.60]	eV
IE	10.80 ± 0.20	eV	NIST
IE	11.40 ± 0.10	eV	NIST
IE	11.50 ± 0.10	eV	NIST
IE	11.40 ± 0.10	eV	NIST
IE	11.40 ± 0.10	eV	NIST
IE	11.00	eV	NIST
IE	11.60	eV	NIST
log10WS	-1.27		Relay (1.0) Calculated Property
logPoct/wat	-0.545		Crippen Calculated Property
McVol	45.700	ml/mol	McGowan Calculated Property
Pc	[10031.20; 10132.50]	kPa
Pc	10132.50	kPa	Mathews (1972), critical constants of inorganic substances Compiled value
Pc	10132.50	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	10031.20	kPa	ChemSep v8.3 pure component data Compiled value
Ptriple	18.56	kPa	ChemSep v8.3 pure component data Compiled value
Tboil	294.30	K	ChemSep v8.3 pure component data Compiled value
Tc	[431.00; 431.15]	K
Tc	431.00	K	Mathews (1972), critical constants of inorganic substances Compiled value
Tc	431.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	431.15	K	ChemSep v8.3 pure component data Compiled value
Tfus	[263.01; 263.85]	K
Tfus	263.85	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	263.01	K	ChemSep v8.3 pure component data Compiled value
Ttriple	261.90	K	ChemSep v8.3 pure component data Compiled value
UQi	1.98		ChemSep v8.3 pure component data Compiled value
URi	1.98		ChemSep v8.3 pure component data Compiled value
Vc	[0.082; 0.170]	m3/kmol
Vc	0.170	m3/kmol	Mathews (1972), critical constants of inorganic substances Compiled value
Vc	0.167	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.082	m3/kmol	ChemSep v8.3 pure component data Compiled value
VCOSTALD	0.09	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.86		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	[0.2330000; 0.4700000]
Zc	0.4700000		Mathews (1972), critical constants of inorganic substances Compiled value
Zc	0.2330000		ChemSep v8.3 pure component data Compiled value
Zra	[0.24; 0.37]
Zra	0.24		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra	0.37		ChemSep v8.3 pure component data Compiled value

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[40.45; 124.12]	J/mol×K	[50.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.99508e+01
Coefficient B			-2.60124e+02
Coefficient C			4.50505e+00
Coefficient D			2.24817e-04
Coefficient E			-1.04928e-07
Temperature range, min.			50.00
Temperature range, max.			1500.00
Cp,gas	40.45	J/mol×K	50.00	Calculated Property
Cp,gas	67.49	J/mol×K	211.11	Calculated Property
Cp,gas	88.15	J/mol×K	372.22	Calculated Property
Cp,gas	100.74	J/mol×K	533.33	Calculated Property
Cp,gas	109.08	J/mol×K	694.44	Calculated Property
Cp,gas	114.88	J/mol×K	855.56	Calculated Property
Cp,gas	118.94	J/mol×K	1016.67	Calculated Property
Cp,gas	121.68	J/mol×K	1177.78	Calculated Property
Cp,gas	123.35	J/mol×K	1338.89	Calculated Property
Cp,gas	124.12	J/mol×K	1500.00	Calculated Property
Cp,gas	[97.19; 119.21]	J/mol×K	[500.00; 1000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.40527e+01
Coefficient B			1.91984e+02
Coefficient C			-1.51058e+02
Coefficient D			4.43935e+01
Coefficient E			-1.58949e-01
Reference			Chase, 1998
Comment			F=-8.893428, G=293.7724, H=9.078988; Data last reviewed in September, 1964
Temperature range, min.			500.00
Temperature range, max.			1000.00
Cp,gas	97.19	J/mol×K	500.00	Calculated Property
Cp,gas	101.19	J/mol×K	555.56	Calculated Property
Cp,gas	104.67	J/mol×K	611.11	Calculated Property
Cp,gas	107.70	J/mol×K	666.67	Calculated Property
Cp,gas	110.33	J/mol×K	722.22	Calculated Property
Cp,gas	112.62	J/mol×K	777.78	Calculated Property
Cp,gas	114.60	J/mol×K	833.33	Calculated Property
Cp,gas	116.33	J/mol×K	888.89	Calculated Property
Cp,gas	117.85	J/mol×K	944.44	Calculated Property
Cp,gas	119.21	J/mol×K	1000.00	Calculated Property
Cp,gas	[119.11; 132.61]	J/mol×K	[1000.00; 6000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.28622e+02
Coefficient B			2.52434e+00
Coefficient C			-5.20883e-01
Coefficient D			3.66300e-02
Coefficient E			-1.15570e+01
Reference			Chase, 1998
Comment			F=-59.22619, G=417.0444, H=9.078988; Data last reviewed in September, 1964
Temperature range, min.			1000.00
Temperature range, max.			6000.00
Cp,gas	119.11	J/mol×K	1000.00	Calculated Property
Cp,gas	126.65	J/mol×K	1555.56	Calculated Property
Cp,gas	129.38	J/mol×K	2111.11	Calculated Property
Cp,gas	130.72	J/mol×K	2666.67	Calculated Property
Cp,gas	131.46	J/mol×K	3222.22	Calculated Property
Cp,gas	131.89	J/mol×K	3777.78	Calculated Property
Cp,gas	132.14	J/mol×K	4333.33	Calculated Property
Cp,gas	132.31	J/mol×K	4888.89	Calculated Property
Cp,gas	132.45	J/mol×K	5444.44	Calculated Property
Cp,gas	132.61	J/mol×K	6000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[114.76; 158.97]	J/mol×K	[100.00; 400.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.12080e+02
Coefficient B			1.50810e+01
Coefficient C			-1.36906e+00
Coefficient D			2.50830e-02
Coefficient E			-3.03380e-05
Temperature range, min.			100.00
Temperature range, max.			400.00
Cp,liquid	114.76	J/mol×K	100.00	Calculated Property
Cp,liquid	116.79	J/mol×K	133.33	Calculated Property
Cp,liquid	119.92	J/mol×K	166.67	Calculated Property
Cp,liquid	124.38	J/mol×K	200.00	Calculated Property
Cp,liquid	130.19	J/mol×K	233.33	Calculated Property
Cp,liquid	137.08	J/mol×K	266.67	Calculated Property
Cp,liquid	144.40	J/mol×K	300.00	Calculated Property
Cp,liquid	151.19	J/mol×K	333.33	Calculated Property
Cp,liquid	156.35	J/mol×K	366.67	Calculated Property
Cp,liquid	158.97	J/mol×K	400.00	Calculated Property
Cp,liquid	[142.48; 178.82]	J/mol×K	[298.00; 500.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,liquid in J/mol×K, T in K
Coefficient A			8.91631e+01
Coefficient B			1.78914e+02
Coefficient C			9.29459e-01
Coefficient D			0.00000e+00
Coefficient E			-7.10700e-03
Reference			Chase, 1998
Comment			F=-54.13217, G=263.6757, H=-19.56401; Data last reviewed in September, 1964
Temperature range, min.			298.00
Temperature range, max.			500.00
Cp,liquid	142.48	J/mol×K	298.00	Calculated Property
Cp,liquid	146.52	J/mol×K	320.44	Calculated Property
Cp,liquid	150.56	J/mol×K	342.89	Calculated Property
Cp,liquid	154.60	J/mol×K	365.33	Calculated Property
Cp,liquid	158.63	J/mol×K	387.78	Calculated Property
Cp,liquid	162.67	J/mol×K	410.22	Calculated Property
Cp,liquid	166.71	J/mol×K	432.67	Calculated Property
Cp,liquid	170.75	J/mol×K	455.11	Calculated Property
Cp,liquid	174.79	J/mol×K	477.56	Calculated Property
Cp,liquid	178.82	J/mol×K	500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006269; 0.0000746]	Pa×s	[261.00; 400.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-3.40100e+02
Coefficient B			1.09570e+04
Coefficient C			5.36410e+01
Coefficient D			-1.13650e-04
Coefficient E			2.00000e+00
Temperature range, min.			261.00
Temperature range, max.			400.00
η	0.0006269	Pa×s	261.00	Calculated Property
η	0.0005108	Pa×s	276.44	Calculated Property
η	0.0004272	Pa×s	291.89	Calculated Property
η	0.0003595	Pa×s	307.33	Calculated Property
η	0.0002997	Pa×s	322.78	Calculated Property
η	0.0002446	Pa×s	338.22	Calculated Property
η	0.0001936	Pa×s	353.67	Calculated Property
η	0.0001475	Pa×s	369.11	Calculated Property
η	0.0001075	Pa×s	384.56	Calculated Property
η	0.0000746	Pa×s	400.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[28.91; 28.91]	kJ/mol	[294.25; 303.75]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			3.06780e+01
Coefficient B			1.77440e-01
Coefficient C			-1.65210e-01
Coefficient D			-1.17920e-01
Coefficient E			1.31930e-01
Critical temperature, Tc (K)			4.31150e+02
Temperature range, min.			294.25
Temperature range, max.			303.75
ΔvapH	28.91	kJ/mol	294.25	Calculated Property
ΔvapH	28.91	kJ/mol	295.31	Calculated Property
ΔvapH	28.91	kJ/mol	296.36	Calculated Property
ΔvapH	28.91	kJ/mol	297.42	Calculated Property
ΔvapH	28.91	kJ/mol	298.47	Calculated Property
ΔvapH	28.91	kJ/mol	299.53	Calculated Property
ΔvapH	28.91	kJ/mol	300.58	Calculated Property
ΔvapH	28.91	kJ/mol	301.64	Calculated Property
ΔvapH	28.91	kJ/mol	302.69	Calculated Property
ΔvapH	28.91	kJ/mol	303.75	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[10.71; 10138.87]	kPa	[252.77; 431.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			6.55112e+01
Coefficient B			-5.43200e+03
Coefficient C			-7.72590e+00
Coefficient D			1.71100e-05
Coefficient E			2.00000e+00
Temperature range, min.			252.77
Temperature range, max.			431.15
Pvap	10.71	kPa	252.77	Calculated Property
Pvap	34.08	kPa	272.59	Calculated Property
Pvap	92.64	kPa	292.41	Calculated Property
Pvap	222.80	kPa	312.23	Calculated Property
Pvap	486.73	kPa	332.05	Calculated Property
Pvap	985.53	kPa	351.87	Calculated Property
Pvap	1878.78	kPa	371.69	Calculated Property
Pvap	3414.11	kPa	391.51	Calculated Property
Pvap	5972.58	kPa	411.33	Calculated Property
Pvap	10138.87	kPa	431.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1497.08; 1331.41]	kg/m3	[261.90; 343.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			1.94787e+02
Coefficient B			3.26710e-01
Coefficient C			4.31150e+02
Coefficient D			2.08320e-01
Temperature range, min.			261.90
Temperature range, max.			343.15
ρl	1497.08	kg/m3	261.90	Calculated Property
ρl	1481.51	kg/m3	270.93	Calculated Property
ρl	1465.40	kg/m3	279.96	Calculated Property
ρl	1448.70	kg/m3	288.98	Calculated Property
ρl	1431.35	kg/m3	298.01	Calculated Property
ρl	1413.26	kg/m3	307.04	Calculated Property
ρl	1394.35	kg/m3	316.07	Calculated Property
ρl	1374.50	kg/m3	325.09	Calculated Property
ρl	1353.58	kg/m3	334.12	Calculated Property
ρl	1331.41	kg/m3	343.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.07; 0.05]	W/m×K	[380.00; 400.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			1.96640e-05
Coefficient B			1.12770e+00
Coefficient C			2.65480e+02
Coefficient D			-2.10280e+05
Temperature range, min.			380.00
Temperature range, max.			400.00
λgas	0.07	W/m×K	380.00	Calculated Property
λgas	0.06	W/m×K	382.22	Calculated Property
λgas	0.06	W/m×K	384.44	Calculated Property
λgas	0.06	W/m×K	386.67	Calculated Property
λgas	0.06	W/m×K	388.89	Calculated Property
λgas	0.05	W/m×K	391.11	Calculated Property
λgas	0.05	W/m×K	393.33	Calculated Property
λgas	0.05	W/m×K	395.56	Calculated Property
λgas	0.05	W/m×K	397.78	Calculated Property
λgas	0.05	W/m×K	400.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.16; 0.11]	W/m×K	[270.00; 400.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			1.14990e-01
Coefficient B			2.69160e+04
Coefficient C			-2.97750e+02
Coefficient D			1.08900e+00
Coefficient E			-1.35920e-03
Temperature range, min.			270.00
Temperature range, max.			400.00
λliquid	0.16	W/m×K	270.00	Calculated Property
λliquid	0.15	W/m×K	284.44	Calculated Property
λliquid	0.14	W/m×K	298.89	Calculated Property
λliquid	0.13	W/m×K	313.33	Calculated Property
λliquid	0.12	W/m×K	327.78	Calculated Property
λliquid	0.12	W/m×K	342.22	Calculated Property
λliquid	0.12	W/m×K	356.67	Calculated Property
λliquid	0.12	W/m×K	371.11	Calculated Property
λliquid	0.12	W/m×K	385.56	Calculated Property
λliquid	0.11	W/m×K	400.00	Calculated Property

Similar Compounds

Find more compounds similar to dinitrogen tetraoxide.

Mixtures

• dinitrogen tetraoxide + nitric acid + Water
• dinitrogen pentaoxide + dinitrogen tetraoxide + nitric acid

Sources

• Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
• Mathews (1972), critical constants of inorganic substances ChEDL chemicals 1.5.2, from Mathews, J. F. Critical Constants of Inorganic Substances. Chem. Rev. 1972, 72, 71-100.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Densities and Excess Molar Volumes of the Ternary System N2O4 + H2O + HNO3 at 278.15 K, 283.15 K, 288.15 K, and 293.15 K
• Equilibrium Data for the N2O5 + HNO3+ N2O4 System at 258.2 K, 265.2 K, 273.2 K, and 281.2 K
• Joback Method
• McGowan Method
• NIST Webbook

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