Chemical Properties of SULFUR TRIOXIDE (CAS 7446-11-9)

InChI

InChI=1S/O3S/c1-4(2)3

InChI Key

AKEJUJNQAAGONA-UHFFFAOYSA-N

Formula

SO3

SMILES

O=S(=O)=O

Molecular Weight¹

80.06

CAS

7446-11-9

Other Names

• SULFAN
• SULFURIC OXIDE
• sulfuric anhydride

• 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).
• 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).
• γ : Surface Tension (N/m).
• 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	[0.4121; 0.4810]
ω	0.4121		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4240		ChemSep v8.3 pure component data Compiled value
ω	0.4810		KDB
μ	[0.00; 0.00]	debye
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
μ	0.00	debye	KDB
ΔfG°	[-371.30; -370.95]	kJ/mol
ΔfG°	-370.95	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	-371.30	kJ/mol	KDB
ΔfH°gas	[-396.00; -395.72]	kJ/mol
ΔfH°gas	-395.72	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-396.00	kJ/mol	KDB
ΔfusH°	14.12	kJ/mol	Joback Calculated Property
ΔvapH°	28.94	kJ/mol	Relay (1.0) Calculated Property
IE	13.72	eV	Relay (1.0) Calculated Property
logPoct/wat	-1.004		Crippen Calculated Property
McVol	40.520	ml/mol	McGowan Calculated Property
Pc	[8200.00; 8210.00]	kPa
Pc	8207.33	kPa	Mathews (1972), critical constants of inorganic substances Compiled value
Pc	8207.33	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	8210.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	8200.00	kPa	KDB
Ptriple	[21.13; 21.13]	kPa
Ptriple	21.13	kPa	ChemSep v8.3 pure component data Compiled value
Ptriple	21.13	kPa	KDB
Tboil	[317.90; 318.00]	K
Tboil	317.90	K	ChemSep v8.3 pure component data Compiled value
Tboil	318.00	K	KDB
Tc	[490.85; 491.00]	K
Tc	491.00	K	Mathews (1972), critical constants of inorganic substances Compiled value
Tc	490.85	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	490.85	K	ChemSep v8.3 pure component data Compiled value
Tc	491.00	K	KDB
Tfus	[289.90; 301.32]	K
Tfus	301.32	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	289.95	K	ChemSep v8.3 pure component data Compiled value
Tfus	289.90	K	KDB
Ttriple	[289.94; 289.95]	K
Ttriple	289.95	K	ChemSep v8.3 pure component data Compiled value
Ttriple	289.94	K	KDB
UQi	1.97		ChemSep v8.3 pure component data Compiled value
URi	2.15		ChemSep v8.3 pure component data Compiled value
Vc	[0.127; 0.130]	m3/kmol
Vc	0.130	m3/kmol	Mathews (1972), critical constants of inorganic substances Compiled value
Vc	0.128	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.127	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.127	m3/kmol	KDB
VCOSTALD	0.12	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.50		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	[0.2550000; 0.2600000]
Zc	0.2600000		Mathews (1972), critical constants of inorganic substances Compiled value
Zc	0.2550000		ChemSep v8.3 pure component data Compiled value
Zc	0.2550940		KDB
Zra	[0.25; 0.25]
Zra	0.25		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra	0.25		KDB

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ρl	1780.00	kg/m3	318.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[33.01; 79.57]	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			3.29860e+01
Coefficient B			-4.04970e+02
Coefficient C			4.26324e+00
Coefficient D			-8.79250e-05
Coefficient E			-8.98090e-09
Temperature range, min.			50.00
Temperature range, max.			1500.00
Cp,gas	33.01	J/mol×K	50.00	Calculated Property
Cp,gas	43.22	J/mol×K	211.11	Calculated Property
Cp,gas	56.12	J/mol×K	372.22	Calculated Property
Cp,gas	64.63	J/mol×K	533.33	Calculated Property
Cp,gas	70.13	J/mol×K	694.44	Calculated Property
Cp,gas	73.76	J/mol×K	855.56	Calculated Property
Cp,gas	76.20	J/mol×K	1016.67	Calculated Property
Cp,gas	77.84	J/mol×K	1177.78	Calculated Property
Cp,gas	78.91	J/mol×K	1338.89	Calculated Property
Cp,gas	79.57	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[258.09; 258.09]	J/mol×K	[303.15; 312.65]	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			2.58090e+02
Coefficient B			-3.27180e+03
Coefficient C			-1.54007e+01
Coefficient D			3.58680e-03
Coefficient E			-2.88010e-05
Temperature range, min.			303.15
Temperature range, max.			312.65
Cp,liquid	258.09	J/mol×K	303.15	Calculated Property
Cp,liquid	258.09	J/mol×K	304.21	Calculated Property
Cp,liquid	258.09	J/mol×K	305.26	Calculated Property
Cp,liquid	258.09	J/mol×K	306.32	Calculated Property
Cp,liquid	258.09	J/mol×K	307.37	Calculated Property
Cp,liquid	258.09	J/mol×K	308.43	Calculated Property
Cp,liquid	258.09	J/mol×K	309.48	Calculated Property
Cp,liquid	258.09	J/mol×K	310.54	Calculated Property
Cp,liquid	258.09	J/mol×K	311.59	Calculated Property
Cp,liquid	258.09	J/mol×K	312.65	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024652; 0.0002138]	Pa×s	[289.95; 373.00]	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			-2.60710e+02
Coefficient B			1.15050e+04
Coefficient C			3.88390e+01
Coefficient D			-6.16210e-05
Coefficient E			2.00000e+00
Temperature range, min.			289.95
Temperature range, max.			373.00
η	0.0024652	Pa×s	289.95	Calculated Property
η	0.0017511	Pa×s	299.18	Calculated Property
η	0.0012763	Pa×s	308.41	Calculated Property
η	0.0009505	Pa×s	317.63	Calculated Property
η	0.0007207	Pa×s	326.86	Calculated Property
η	0.0005545	Pa×s	336.09	Calculated Property
η	0.0004318	Pa×s	345.32	Calculated Property
η	0.0003394	Pa×s	354.54	Calculated Property
η	0.0002686	Pa×s	363.77	Calculated Property
η	0.0002138	Pa×s	373.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[44.71; 0.00]	kJ/mol	[289.94; 490.85]	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			8.13390e+01
Coefficient B			7.77280e-01
Coefficient C			-4.24270e-01
Coefficient D			6.82870e-01
Coefficient E			-4.60800e-01
Critical temperature, Tc (K)			4.90850e+02
Temperature range, min.			289.94
Temperature range, max.			490.85
ΔvapH	44.71	kJ/mol	289.94	Calculated Property
ΔvapH	41.52	kJ/mol	312.26	Calculated Property
ΔvapH	38.24	kJ/mol	334.59	Calculated Property
ΔvapH	34.85	kJ/mol	356.91	Calculated Property
ΔvapH	31.31	kJ/mol	379.23	Calculated Property
ΔvapH	27.57	kJ/mol	401.56	Calculated Property
ΔvapH	23.50	kJ/mol	423.88	Calculated Property
ΔvapH	18.86	kJ/mol	446.20	Calculated Property
ΔvapH	12.98	kJ/mol	468.53	Calculated Property
ΔvapH	0.00	kJ/mol	490.85	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[20.86; 7958.04]	kPa	[289.95; 490.85]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37724e+01
Coefficient B			-1.73803e+03
Coefficient C			-1.28040e+02
Temperature range, min.			289.95
Temperature range, max.			490.85
Pvap	20.86	kPa	289.95	Calculated Property
Pvap	76.59	kPa	312.27	Calculated Property
Pvap	212.30	kPa	334.59	Calculated Property
Pvap	482.35	kPa	356.92	Calculated Property
Pvap	947.16	kPa	379.24	Calculated Property
Pvap	1665.90	kPa	401.56	Calculated Property
Pvap	2690.74	kPa	423.88	Calculated Property
Pvap	4063.28	kPa	446.21	Calculated Property
Pvap	5813.14	kPa	468.53	Calculated Property
Pvap	7958.04	kPa	490.85	Calculated Property
Pvap	[0.08; 8044.64]	kPa	[234.15; 490.85]	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			3.44692e+02
Coefficient B			-1.82474e+04
Coefficient C			-4.97707e+01
Coefficient D			4.09297e-05
Coefficient E			2.00000e+00
Temperature range, min.			234.15
Temperature range, max.			490.85
Pvap	0.08	kPa	234.15	Calculated Property
Pvap	2.18	kPa	262.67	Calculated Property
Pvap	22.22	kPa	291.19	Calculated Property
Pvap	115.99	kPa	319.72	Calculated Property
Pvap	385.59	kPa	348.24	Calculated Property
Pvap	943.75	kPa	376.76	Calculated Property
Pvap	1880.48	kPa	405.28	Calculated Property
Pvap	3275.41	kPa	433.81	Calculated Property
Pvap	5250.51	kPa	462.33	Calculated Property
Pvap	8044.64	kPa	490.85	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1934.66; 643.80]	kg/m3	[289.95; 490.85]	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			1.29590e+02
Coefficient B			2.01290e-01
Coefficient C			4.90850e+02
Coefficient D			4.21230e-01
Temperature range, min.			289.95
Temperature range, max.			490.85
ρl	1934.66	kg/m3	289.95	Calculated Property
ρl	1834.32	kg/m3	312.27	Calculated Property
ρl	1732.23	kg/m3	334.59	Calculated Property
ρl	1627.72	kg/m3	356.92	Calculated Property
ρl	1519.85	kg/m3	379.24	Calculated Property
ρl	1407.13	kg/m3	401.56	Calculated Property
ρl	1287.00	kg/m3	423.88	Calculated Property
ρl	1154.37	kg/m3	446.21	Calculated Property
ρl	995.71	kg/m3	468.53	Calculated Property
ρl	643.80	kg/m3	490.85	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 2.09e-05]	N/m	[289.95; 488.84]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-1.06140e-02
Coefficient B			3.42370e+02
Coefficient C			-5.97500e+00
Coefficient D			1.22460e-02
Coefficient E			-2.19920e-05
Comment			Range stopped where the equation turns negative; ChemSep gives it to 490.85 K.
Temperature range, min.			289.95
Temperature range, max.			488.84
γ	0.03	N/m	289.95	Calculated Property
γ	0.03	N/m	312.05	Calculated Property
γ	0.03	N/m	334.15	Calculated Property
γ	0.02	N/m	356.25	Calculated Property
γ	0.02	N/m	378.35	Calculated Property
γ	0.01	N/m	400.44	Calculated Property
γ	0.01	N/m	422.54	Calculated Property
γ	0.01	N/m	444.64	Calculated Property
γ	0.00	N/m	466.74	Calculated Property
γ	2.09e-05	N/m	488.84	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.05]	W/m×K	[289.95; 1000.00]	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			1.17170e+00
Coefficient B			-2.46500e-01
Coefficient C			2.00270e+03
Coefficient D			1.32710e+06
Temperature range, min.			289.95
Temperature range, max.			1000.00
λgas	0.01	W/m×K	289.95	Calculated Property
λgas	0.02	W/m×K	368.84	Calculated Property
λgas	0.02	W/m×K	447.74	Calculated Property
λgas	0.03	W/m×K	526.63	Calculated Property
λgas	0.03	W/m×K	605.53	Calculated Property
λgas	0.03	W/m×K	684.42	Calculated Property
λgas	0.04	W/m×K	763.32	Calculated Property
λgas	0.04	W/m×K	842.21	Calculated Property
λgas	0.05	W/m×K	921.11	Calculated Property
λgas	0.05	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.27; 0.06]	W/m×K	[282.51; 481.47]	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			2.10770e-02
Coefficient B			5.85520e+02
Coefficient C			-5.82270e+00
Coefficient D			1.60990e-02
Coefficient E			-2.73180e-05
Temperature range, min.			282.51
Temperature range, max.			481.47
λliquid	0.27	W/m×K	282.51	Calculated Property
λliquid	0.24	W/m×K	304.62	Calculated Property
λliquid	0.21	W/m×K	326.72	Calculated Property
λliquid	0.18	W/m×K	348.83	Calculated Property
λliquid	0.15	W/m×K	370.94	Calculated Property
λliquid	0.13	W/m×K	393.04	Calculated Property
λliquid	0.11	W/m×K	415.15	Calculated Property
λliquid	0.09	W/m×K	437.26	Calculated Property
λliquid	0.08	W/m×K	459.36	Calculated Property
λliquid	0.06	W/m×K	481.47	Calculated Property

Similar Compounds

Find more compounds similar to SULFUR TRIOXIDE.

Mixtures

• Sulfuric Acid + Caprolactam + SULFUR TRIOXIDE

Sources

• 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
• Contribution to the quaternary system H2O-Al3+, Ca2+//O2- , SO42- : Solid-liquid equilibria in the ternary systems Al2(SO4)3-CaSO4-H2O and Al2O3-SO3-H2O at 25C
• Density, Viscosity, and Surface Tension of Liquid Phase Beckmann Rearrangement Mixtures
• Joback Method
• KDB
• McGowan Method
• The Yaws Handbook of Vapor Pressure

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