Chemical Properties of Carbonyl sulfide (CAS 463-58-1)

InChI

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

InChI Key

JJWKPURADFRFRB-UHFFFAOYSA-N

Formula

COS

SMILES

O=C=S

Molecular Weight¹

60.08

CAS

463-58-1

Other Names

• COS
• Carbon oxide sulphide
• Oxycarbon sulfide
• UN 2204
• carbon oxide sulfide
• carbon oxysulfide
• carbonyl sulphide

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_{(+) ion} : Enthalpy of formation of positive ion at standard conditions (kJ/mol).
• Δ_fH_{(+) ion,0K} : Enthalpy of formation of positive ion at 0K (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• Δ_vapS : Entropy of vaporization at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1050		KDB
PAff	628.50	kJ/mol	NIST
BasG	602.60	kJ/mol	NIST
μ	0.70	debye	KDB
EA	[0.40; 0.46]	eV
EA	0.46 ± 0.20	eV	NIST
EA	0.40	eV	NIST
ΔfG°	-165.80	kJ/mol	KDB
ΔfH°gas	[-139.00; -138.50]	kJ/mol
ΔfH°gas	-138.50	kJ/mol	KDB
ΔfH°gas	-139.00 ± 1.00	kJ/mol	NIST
ΔfH°gas	-139.00 ± 1.00	kJ/mol	NIST
ΔfH°(+) ion	937.00	kJ/mol	NIST
ΔfH(+) ion,0K	937.00	kJ/mol	NIST
ΔfusH°	11.59	kJ/mol	Joback Calculated Property
IE	[11.00; 11.30]	eV
IE	11.18 ± 0.01	eV	NIST
IE	11.19 ± 0.00	eV	NIST
IE	Outlier 11.00 ± 1.00	eV	NIST
IE	11.17 ± 0.00	eV	NIST
IE	11.18 ± 0.00	eV	NIST
IE	11.19 ± 0.05	eV	NIST
IE	11.17 ± 0.00	eV	NIST
IE	11.19	eV	NIST
IE	11.22	eV	NIST
IE	11.18 ± 0.01	eV	NIST
IE	Outlier 11.30	eV	NIST
IE	11.19 ± 0.01	eV	NIST
IE	11.23 ± 0.01	eV	NIST
IE	11.18 ± 0.01	eV	NIST
IE	11.18 ± 0.01	eV	NIST
IE	11.22 ± 0.01	eV	NIST
IE	11.23 ± 0.01	eV	NIST
IE	11.18 ± 0.01	eV	NIST
IE	11.22	eV	NIST
IE	11.19	eV	NIST
logPoct/wat	0.251		Crippen Calculated Property
McVol	38.570	ml/mol	McGowan Calculated Property
NFPA Fire	4		KDB
NFPA Health	3		KDB
NFPA Safety	1		KDB
Pc	[5880.00; 6349.00]	kPa
Pc	5880.00	kPa	KDB
Pc	6349.00 ± 5.00	kPa	NIST
Inp	[277.00; 305.00]
Inp	301.00		NIST
Inp	303.00		NIST
Inp	304.00		NIST
Inp	305.00		NIST
Inp	277.00		NIST
Inp	277.00		NIST
I	[680.00; 680.00]
I	680.00		NIST
I	680.00		NIST
S°liquid	136.31	J/mol×K	NIST
Tboil	223.00	K	KDB
Tc	[375.00; 378.80]	K
Tc	375.00	K	KDB
Tc	378.80 ± 0.10	K	NIST
Tfus	134.30	K	KDB
Ttriple	[134.31; 134.33]	K
Ttriple	134.31 ± 0.20	K	NIST
Ttriple	134.33 ± 0.02	K	NIST
Ttriple	134.33 ± 0.02	K	NIST
Vc	[0.135; 0.137]	m3/kmol
Vc	0.137	m3/kmol	KDB
Vc	0.135 ± 0.002	m3/kmol	NIST
Zc	0.2583630		KDB

Cheméo can also estimate Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[47.01; 53.93]	J/mol×K	[282.63; 462.60]
Cp,gas	47.01	J/mol×K	282.63	Joback Calculated Property
Cp,gas	48.70	J/mol×K	312.62	Joback Calculated Property
Cp,gas	50.16	J/mol×K	342.62	Joback Calculated Property
Cp,gas	51.39	J/mol×K	372.61	Joback Calculated Property
Cp,gas	52.42	J/mol×K	402.61	Joback Calculated Property
Cp,gas	53.26	J/mol×K	432.60	Joback Calculated Property
Cp,gas	53.93	J/mol×K	462.60	Joback Calculated Property
Cp,liquid	71.25	J/mol×K	220.00	NIST
ΔfusH	[4.73; 4.73]	kJ/mol	[134.30; 134.33]
ΔfusH	4.73	kJ/mol	134.30	NIST
ΔfusH	4.73	kJ/mol	134.33	NIST
ΔfusH	4.73	kJ/mol	134.33	NIST
ΔvapH	[18.30; 20.89]	kJ/mol	[182.00; 331.50]
ΔvapH	19.50	kJ/mol	182.00	NIST
ΔvapH	19.50	kJ/mol	193.00	NIST
ΔvapH	19.50	kJ/mol	193.00	NIST
ΔvapH	19.00 ± 0.10	kJ/mol	214.00	NIST
ΔvapH	20.40	kJ/mol	222.50	NIST
ΔvapH	20.89	kJ/mol	222.90	KDB
ΔvapH	18.51	kJ/mol	222.91	NIST
ΔvapH	18.51	kJ/mol	222.91	NIST
ΔvapH	18.30	kJ/mol	331.50	NIST
Pvap	[282.15; 651.42]	kPa	[248.15; 273.15]
Pvap	282.15	kPa	248.15	Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
Pvap	287.13	kPa	248.15	Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
Pvap	638.23	kPa	273.15	Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
Pvap	651.42	kPa	273.15	Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
ρl	1274.00	kg/m3	174.00	KDB
ΔfusS	[35.20; 35.20]	J/mol×K	[134.33; 134.33]
ΔfusS	35.20	J/mol×K	134.33	NIST
ΔfusS	35.20	J/mol×K	134.33	NIST
γ	0.02	N/m	218.20	KDB
ΔvapS	[83.02; 83.02]	J/mol×K	[222.91; 222.91]
ΔvapS	83.02	J/mol×K	222.91	NIST
ΔvapS	83.02	J/mol×K	222.91	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 6352.00]	kPa	[159.78; 378.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41200e+01
Coefficient B			-1.91842e+03
Coefficient C			-2.10860e+01
Temperature range, min.			159.78
Temperature range, max.			378.77
Pvap	1.33	kPa	159.78	Calculated Property
Pvap	10.51	kPa	184.11	Calculated Property
Pvap	48.46	kPa	208.44	Calculated Property
Pvap	157.21	kPa	232.78	Calculated Property
Pvap	400.16	kPa	257.11	Calculated Property
Pvap	855.34	kPa	281.44	Calculated Property
Pvap	1605.65	kPa	305.77	Calculated Property
Pvap	2729.54	kPa	330.11	Calculated Property
Pvap	4294.25	kPa	354.44	Calculated Property
Pvap	6352.00	kPa	378.77	Calculated Property

Similar Compounds

Find more compounds similar to Carbonyl sulfide.

Mixtures

• Carbonyl sulfide + 1,2-Ethanediol
• Carbonyl sulfide + Ethanol, 2,2'-oxybis-
• Carbonyl sulfide + Triethylene glycol
• Carbonyl sulfide + Thiophene, tetrahydro-, 1,1-dioxide
• Carbonyl sulfide + Carbon dioxide
• Carbonyl sulfide + Carbon disulfide
• Carbonyl sulfide + 1,2-Ethanediol + Water

Sources

• Crippen Method
• Crippen Method
• Experimental study and phase equilibrium modeling of systems containing acid gas and glycol
• Diffusivity and solubility of carbonyl sulfide and sulfur dioxide in 1-ethyl-3-methylimidazolium bis (trifluoromethyl) sulfonylimide ([emim][Tf2N]): Experimental measurement and modelling
• The Volumetric Properties of Carbonyl Sulfide and Carbon Dioxide Mixtures from T = 322 to 393 K and p = 2.5 to 35 MPa: Application to COS Hydrolysis in Subsurface Injectate Streams
• Experimental Solubility of Carbonyl Sulfide in Sulfolane and gamma-butyrolactone
• Solubility of Carbonyl Sulfide in Aqueous Solutions of Ethylene Glycol at Temperatures from (308.15 K to 323.15) K
• Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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