Chemical Properties of Carbon disulfide (CAS 75-15-0)

InChI

InChI=1S/CS2/c2-1-3

InChI Key

QGJOPFRUJISHPQ-UHFFFAOYSA-N

Formula

CS2

SMILES

S=C=S

Molecular Weight¹

76.14

CAS

75-15-0

Other Names

• Alcohol of sulfur
• CS2
• Carbon bisulfide
• Carbon bisulfuret
• Carbon bisulphide
• Carbon sulfide
• Carbon sulfide (CS2)
• Carbon sulphide
• Carbon-disulphide-
• Dithiocarbonic anhydride
• Kohlendisulfid
• Koolstofdisulfide
• Methyl disulfide
• NCI-C04591
• Rcra waste number P022
• Schwefelkohlenstoff
• Solfuro di carbonio
• Sulfocarbonic anhydride
• Sulphocarbonic anhydride
• UN 1131
• Weeviltox
• Wegla dwusiarczek
• carbon disulphide

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• T_ig : Autoignition Temperature (K).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (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).
• LFL : Lower Flammability Limit (% in Air).
• UFL : Upper Flammability Limit (% in Air).
• T_flash,oc : Flash Point (Open Cup Method) (K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• R_g : Radius of Gyration.
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (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 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health 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).
• 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.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1090		KDB
PAff	681.90	kJ/mol	NIST
Tig	373.15	K	KDB
BasG	657.70	kJ/mol	NIST
ΔcH°gas	-1112.00	kJ/mol	NIST
ΔcH°liquid	-1687.20 ± 0.50	kJ/mol	NIST
μ	0.00	debye	KDB
EA	[6.94e-04; 1.46]	eV
EA	0.55 ± 0.00	eV	NIST
EA	0.58 ± 0.05	eV	NIST
EA	0.51 ± 0.10	eV	NIST
EA	0.80	eV	NIST
EA	Outlier 6.94e-04	eV	NIST
EA	0.60 ± 0.10	eV	NIST
EA	0.50 ± 0.20	eV	NIST
EA	Outlier 1.46 ± 0.02	eV	NIST
EA	0.89 ± 0.20	eV	NIST
EA	1.00 ± 0.20	eV	NIST
EA	0.94 ± 0.32	eV	NIST
LFL	1.30	% in Air	KDB
UFL	50.00	% in Air	KDB
Tflash,oc	243.15	K	KDB
ΔfG°	66.95	kJ/mol	KDB
Rg	1.4240		KDB
ΔfH°gas	[117.10; 117.10]	kJ/mol
ΔfH°gas	117.10	kJ/mol	KDB
ΔfH°gas	117.10 ± 0.79	kJ/mol	NIST
ΔfH°liquid	89.41 ± 0.71	kJ/mol	NIST
ΔfusH°	12.10	kJ/mol	Joback Calculated Property
ΔvapH°	[26.80; 27.70]	kJ/mol
ΔvapH°	27.65	kJ/mol	NIST
ΔvapH°	27.50 ± 0.10	kJ/mol	NIST
ΔvapH°	27.50 ± 0.10	kJ/mol	NIST
ΔvapH°	27.70 ± 0.08	kJ/mol	NIST
ΔvapH°	27.70	kJ/mol	NIST
ΔvapH°	Outlier 26.80 ± 0.01	kJ/mol	NIST
IE	[10.00; 10.14]	eV
IE	10.07 ± 0.01	eV	NIST
IE	10.08	eV	NIST
IE	10.08 ± 0.00	eV	NIST
IE	10.08	eV	NIST
IE	Outlier 10.00 ± 1.00	eV	NIST
IE	10.06	eV	NIST
IE	10.08 ± 0.00	eV	NIST
IE	10.07 ± 0.00	eV	NIST
IE	10.05 ± 0.08	eV	NIST
IE	10.06 ± 0.03	eV	NIST
IE	10.07	eV	NIST
IE	10.12	eV	NIST
IE	10.08 ± 0.01	eV	NIST
IE	10.08	eV	NIST
IE	10.07 ± 0.01	eV	NIST
IE	10.10 ± 0.10	eV	NIST
IE	10.06	eV	NIST
IE	10.06 ± 0.01	eV	NIST
IE	10.06	eV	NIST
IE	10.07 ± 0.10	eV	NIST
IE	10.07 ± 0.01	eV	NIST
IE	10.12 ± 0.01	eV	NIST
IE	10.13	eV	NIST
IE	10.07	eV	NIST
IE	10.08 ± 0.01	eV	NIST
IE	Outlier 10.14 ± 0.01	eV	NIST
IE	10.06 ± 0.01	eV	NIST
IE	10.11 ± 0.01	eV	NIST
IE	10.08	eV	NIST
IE	10.13	eV	NIST
IE	10.08	eV	NIST
IE	10.13	eV	NIST
IE	10.09	eV	NIST
IE	10.10	eV	NIST
logPoct/wat	1.018		Crippen Calculated Property
McVol	49.050	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
Pc	7900.00	kPa	KDB
Inp	[512.00; 576.00]
Inp	564.40		NIST
Inp	Outlier 576.00		NIST
Inp	558.00		NIST
Inp	557.30		NIST
Inp	539.00		NIST
Inp	512.00		NIST
Inp	544.00		NIST
Inp	538.00		NIST
Inp	568.00		NIST
Inp	564.00		NIST
Inp	558.00		NIST
Inp	557.00		NIST
Inp	517.00		NIST
Inp	536.00		NIST
Inp	530.00		NIST
Inp	537.00		NIST
Inp	537.00		NIST
Inp	533.00		NIST
Inp	536.00		NIST
Inp	517.00		NIST
Inp	512.00		NIST
Inp	540.00		NIST
Inp	569.00		NIST
Inp	568.00		NIST
Inp	544.00		NIST
Inp	515.00		NIST
Inp	517.00		NIST
Inp	534.00		NIST
Inp	534.00		NIST
Inp	549.00		NIST
Inp	549.00		NIST
Inp	537.00		NIST
Inp	536.00		NIST
Inp	561.00		NIST
Inp	530.00		NIST
Inp	527.00		NIST
Inp	518.00		NIST
Inp	524.00		NIST
Inp	513.00		NIST
Inp	514.00		NIST
Inp	527.00		NIST
Inp	524.00		NIST
Inp	539.00		NIST
Inp	524.00		NIST
Inp	568.00		NIST
Inp	540.00		NIST
Inp	517.00		NIST
Inp	537.00		NIST
Inp	518.00		NIST
Inp	524.00		NIST
Inp	533.00		NIST
I	[701.00; 780.00]
I	733.00		NIST
I	745.00		NIST
I	701.00		NIST
I	701.00		NIST
I	751.00		NIST
I	780.00		NIST
I	710.00		NIST
I	735.00		NIST
I	748.00		NIST
I	745.00		NIST
I	701.00		NIST
I	748.00		NIST
I	745.00		NIST
S°liquid	151.00	J/mol×K	NIST
Tboil	[315.09; 319.40]	K
Tboil	319.00	K	KDB
Tboil	319.40	K	NIST
Tboil	319.37 ± 0.06	K	NIST
Tboil	319.20 ± 0.30	K	NIST
Tboil	318.35 ± 0.30	K	NIST
Tboil	319.40 ± 0.40	K	NIST
Tboil	319.35 ± 0.30	K	NIST
Tboil	319.40 ± 0.20	K	NIST
Tboil	319.40 ± 0.50	K	NIST
Tboil	319.38 ± 0.30	K	NIST
Tboil	319.40 ± 0.30	K	NIST
Tboil	318.65 ± 1.50	K	NIST
Tboil	319.10 ± 0.70	K	NIST
Tboil	319.40 ± 0.20	K	NIST
Tboil	Outlier 315.09 ± 2.77	K	NIST
Tc	[552.00; 552.50]	K
Tc	552.50	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tc	552.00	K	KDB
Tc	552.00	K	NIST
Tfus	[156.35; 162.30]	K
Tfus	161.60	K	KDB
Tfus	161.00 ± 2.00	K	NIST
Tfus	161.00 ± 2.00	K	NIST
Tfus	161.60 ± 1.50	K	NIST
Tfus	161.55 ± 0.40	K	NIST
Tfus	161.35 ± 0.20	K	NIST
Tfus	Outlier 156.35 ± 0.40	K	NIST
Tfus	162.30 ± 0.50	K	NIST
Tfus	161.60 ± 0.40	K	NIST
Ttriple	[161.11; 161.59]	K
Ttriple	161.11 ± 0.02	K	NIST
Ttriple	161.59 ± 0.20	K	NIST
Ttriple	161.11 ± 0.02	K	NIST
Vc	0.173	m3/kmol	KDB
Zc	0.2977810		KDB
Zra	0.28		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
Cp,gas	[57.77; 60.79]	J/mol×K	[361.91; 594.48]
Cp,gas	57.77	J/mol×K	361.91	Joback Calculated Property
Cp,gas	58.82	J/mol×K	400.67	Joback Calculated Property
Cp,gas	59.61	J/mol×K	439.43	Joback Calculated Property
Cp,gas	60.16	J/mol×K	478.20	Joback Calculated Property
Cp,gas	60.52	J/mol×K	516.96	Joback Calculated Property
Cp,gas	60.72	J/mol×K	555.72	Joback Calculated Property
Cp,gas	60.79	J/mol×K	594.48	Joback Calculated Property
Cp,liquid	[74.89; 78.99]	J/mol×K	[293.00; 301.20]
Cp,liquid	77.80	J/mol×K	293.00	NIST
Cp,liquid	74.89	J/mol×K	294.81	NIST
Cp,liquid	76.02	J/mol×K	297.43	NIST
Cp,liquid	78.99	J/mol×K	298.00	NIST
Cp,liquid	76.10	J/mol×K	301.20	NIST
ΔfusH	[4.39; 4.39]	kJ/mol	[161.10; 161.11]
ΔfusH	4.39	kJ/mol	161.10	NIST
ΔfusH	4.39	kJ/mol	161.11	NIST
ΔfusH	4.39	kJ/mol	161.11	NIST
ΔvapH	[26.70; 28.70]	kJ/mol	[282.00; 511.50]
ΔvapH	28.10 ± 0.10	kJ/mol	282.00	NIST
ΔvapH	28.70	kJ/mol	286.50	NIST
ΔvapH	28.70	kJ/mol	304.50	NIST
ΔvapH	28.50	kJ/mol	306.50	NIST
ΔvapH	28.10	kJ/mol	315.00	NIST
ΔvapH	26.74	kJ/mol	319.00	KDB
ΔvapH	26.70 ± 0.10	kJ/mol	319.00	NIST
ΔvapH	26.74	kJ/mol	319.40	NIST
ΔvapH	27.60	kJ/mol	330.50	NIST
ΔvapH	27.40	kJ/mol	373.00	NIST
ΔvapH	27.00	kJ/mol	442.50	NIST
ΔvapH	27.10	kJ/mol	453.00	NIST
ΔvapH	28.70	kJ/mol	511.50	NIST
Pvap	[4.50; 240.00]	kPa	[248.15; 348.45]
Pvap	4.50	kPa	248.15	Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
Pvap	17.00	kPa	273.08	Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
Pvap	17.30	kPa	273.15	Vapor Liquid Equilibrium for Several Compounds Relevant to the Biofuels Industry Modeled with the Wilson Equation
Pvap	49.00	kPa	298.40	Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
Pvap	116.00	kPa	323.50	Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
Pvap	240.00	kPa	348.45	Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
ρl	1293.00	kg/m3	273.00	KDB
ΔfusS	[27.24; 27.24]	J/mol×K	[161.11; 161.11]
ΔfusS	27.24	J/mol×K	161.11	NIST
ΔfusS	27.24	J/mol×K	161.11	NIST
γ	0.03	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 5060.42]	kPa	[228.44; 512.00]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46236e+01
Coefficient B			-3.00601e+03
Coefficient C			-1.87560e+01
Temperature range, min.			228.44
Temperature range, max.			512.00
Pvap	1.33	kPa	228.44	Calculated Property
Pvap	8.67	kPa	259.95	Calculated Property
Pvap	36.61	kPa	291.45	Calculated Property
Pvap	114.67	kPa	322.96	Calculated Property
Pvap	289.86	kPa	354.47	Calculated Property
Pvap	624.94	kPa	385.97	Calculated Property
Pvap	1193.33	kPa	417.48	Calculated Property
Pvap	2072.69	kPa	448.99	Calculated Property
Pvap	3338.76	kPa	480.49	Calculated Property
Pvap	5060.42	kPa	512.00	Calculated Property
Pvap	[1.63e-03; 7960.81]	kPa	[161.58; 552.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			4.61912e+01
Coefficient B			-4.56318e+03
Coefficient C			-4.81722e+00
Coefficient D			4.82906e-06
Temperature range, min.			161.58
Temperature range, max.			552.00
Pvap	1.63e-03	kPa	161.58	Calculated Property
Pvap	0.22	kPa	204.96	Calculated Property
Pvap	4.70	kPa	248.34	Calculated Property
Pvap	37.27	kPa	291.72	Calculated Property
Pvap	165.13	kPa	335.10	Calculated Property
Pvap	508.05	kPa	378.48	Calculated Property
Pvap	1230.66	kPa	421.86	Calculated Property
Pvap	2535.68	kPa	465.24	Calculated Property
Pvap	4671.89	kPa	508.62	Calculated Property
Pvap	7960.81	kPa	552.00	Calculated Property

Similar Compounds

Find more compounds similar to Carbon disulfide.

Mixtures

• Carbon disulfide + Hydrogen sulfide
• Carbon disulfide + n-Hexatriacontane
• Naphthalene, 1-methyl- + Carbon disulfide + n-Hexatriacontane
• Carbon disulfide + Carbon dioxide
• Carbon disulfide + Water
• Carbonyl sulfide + Carbon disulfide

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Experimental solubility data of various n-alkane waxes: effects of alkane chain length, alkane odd versus even carbon number structures, and solvent chemistry on solubility
• Measurement of VLE (TPx or TPxy data) for hydrogen sulfide + (dimethylsulfide or ethylmethylsulfide or carbon disulfide) and methane solubilities in (dimethylsulfide or ethylmethylsulfide or methylmercaptan or ethylmercaptan)
• Volumetric properties and phase behavior of sulfur dioxide, carbon disulfide and oxygen in high-pressure carbon dioxide fluid
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• High Pressure Phase Behavior of Carbon Dioxide in Carbon Disulfide and Carbon Tetrachloride
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• 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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