Chemical Properties of Diethyl sulfide (CAS 352-93-2)

InChI

InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3

InChI Key

LJSQFQKUNVCTIA-UHFFFAOYSA-N

Formula

C4H10S

SMILES

CCSCC

Molecular Weight¹

90.19

CAS

352-93-2

Other Names

• (C2H5)2S
• 1,1'-Thiobisethane
• 3-Thiapentane
• Diethyl sulphide
• Diethyl thioether
• Diethylsulfid
• Ethane, 1,1'-thiobis-
• Ethyl monosulfide
• Ethyl sulfide
• Ethyl thioether
• Ethylthioethane
• NSC 75157
• Sulfodor
• Thioethyl ether
• UN 2375

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• n₀ : Refractive Index.
• ρ_c : Critical 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2011		Relay (1.0) Calculated Property
PAff	856.70	kJ/mol	NIST
BasG	827.00	kJ/mol	NIST
ΔcH°liquid	[-3486.10; -3471.00]	kJ/mol
ΔcH°liquid	-3486.10 ± 0.67	kJ/mol	NIST
ΔcH°liquid	-3471.00	kJ/mol	NIST
ΔfG°	15.92	kJ/mol	Joback Calculated Property
ΔfH°gas	[-83.50; -82.72]	kJ/mol
ΔfH°gas	-83.50 ± 2.30	kJ/mol	NIST
ΔfH°gas	-82.72 ± 0.79	kJ/mol	NIST
ΔfH°liquid	[-119.40; -119.30]	kJ/mol
ΔfH°liquid	-119.30 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-119.40 ± 0.84	kJ/mol	NIST
ΔfusH°	10.25	kJ/mol	Joback Calculated Property
ΔvapH°	33.95	kJ/mol	Relay (1.0) Calculated Property
IE	[8.40; 8.46]	eV
IE	8.42 ± 0.01	eV	NIST
IE	8.41	eV	NIST
IE	8.42 ± 0.01	eV	NIST
IE	8.43 ± 0.01	eV	NIST
IE	8.40	eV	NIST
IE	8.46	eV	NIST
IE	8.44	eV	NIST
IE	8.44	eV	NIST
log10WS	[-1.34; -1.34]
log10WS	-1.34		Aq. Solubility Prediction
log10WS	-1.34		Estimated Solubility
logPoct/wat	1.759		Crippen Calculated Property
McVol	83.570	ml/mol	McGowan Calculated Property
Pc	3960.00 ± 40.53	kPa	NIST
ρc	284.18 ± 1.80	kg/m3	NIST
Inp	[683.00; 720.00]
Inp	708.50		NIST
Inp	Outlier 717.90		NIST
Inp	700.40		NIST
Inp	703.70		NIST
Inp	698.00		NIST
Inp	698.00		NIST
Inp	698.00		NIST
Inp	699.00		NIST
Inp	696.00		NIST
Inp	695.00		NIST
Inp	692.00		NIST
Inp	695.00		NIST
Inp	692.00		NIST
Inp	696.00		NIST
Inp	693.00		NIST
Inp	693.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	694.00		NIST
Inp	698.00		NIST
Inp	704.00		NIST
Inp	708.00		NIST
Inp	700.00		NIST
Inp	704.00		NIST
Inp	Outlier 720.00		NIST
Inp	704.00		NIST
Inp	699.00		NIST
Inp	699.00		NIST
Inp	690.00		NIST
Inp	690.00		NIST
Inp	698.00		NIST
Inp	693.00		NIST
Inp	704.00		NIST
Inp	Outlier 683.00		NIST
Inp	685.00		NIST
Inp	704.00		NIST
Inp	708.00		NIST
I	[895.00; 927.00]
I	903.00		NIST
I	Outlier 927.00		NIST
I	904.00		NIST
I	895.00		NIST
I	899.00		NIST
I	895.00		NIST
I	899.00		NIST
I	903.00		NIST
I	904.00		NIST
S°liquid	269.28	J/mol×K	NIST
Tboil	368.41	K	Relay (1.0) Calculated Property
Tc	[557.00; 557.00]	K
Tc	557.00	K	NIST
Tc	557.00 ± 0.50	K	NIST
Tfus	[169.18; 169.85]	K
Tfus	169.18	K	Aq. Solubility Prediction
Tfus	169.85 ± 0.60	K	NIST
Tfus	169.24 ± 0.10	K	NIST
Tfus	169.85 ± 0.40	K	NIST
Ttriple	169.21 ± 0.02	K	NIST
Vc	0.296	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.44; 182.04]	J/mol×K	[359.70; 550.75]
Cp,gas	135.44	J/mol×K	359.70	Joback Calculated Property
Cp,gas	143.93	J/mol×K	391.54	Joback Calculated Property
Cp,gas	152.12	J/mol×K	423.38	Joback Calculated Property
Cp,gas	160.03	J/mol×K	455.23	Joback Calculated Property
Cp,gas	167.65	J/mol×K	487.07	Joback Calculated Property
Cp,gas	174.99	J/mol×K	518.91	Joback Calculated Property
Cp,gas	182.04	J/mol×K	550.75	Joback Calculated Property
Cp,liquid	171.42	J/mol×K	298.15	NIST
ΔfusH	[11.90; 11.92]	kJ/mol	[169.20; 169.21]
ΔfusH	11.92	kJ/mol	169.20	NIST
ΔfusH	11.90	kJ/mol	169.20	NIST
ΔfusH	11.90	kJ/mol	169.21	NIST
ΔvapH	[31.77; 37.50]	kJ/mol	[297.00; 365.30]
ΔvapH	37.50	kJ/mol	297.00	NIST
ΔvapH	34.90	kJ/mol	327.00	NIST
ΔvapH	34.80	kJ/mol	340.00	NIST
ΔvapH	34.40	kJ/mol	357.00	NIST
ΔvapH	33.50	kJ/mol	364.00	NIST
ΔvapH	31.77	kJ/mol	365.30	NIST
Pvap	[13.30; 18.80]	kPa	[307.94; 317.62]
Pvap	13.30	kPa	307.94	Vapour liquid equilibrium for the systems diethyl sulphide + 1-butene, +cis-2-butene, +2-methylpropane, +2-methylpropene, +n-butane, +trans-2-butene
Pvap	15.00	kPa	312.58	Vapour liquid equilibrium for the systems diethyl sulphide + 1-butene, +cis-2-butene, +2-methylpropane, +2-methylpropene, +n-butane, +trans-2-butene
Pvap	15.20	kPa	312.58	Vapour liquid equilibrium for the systems diethyl sulphide + 1-butene, +cis-2-butene, +2-methylpropane, +2-methylpropene, +n-butane, +trans-2-butene
Pvap	15.10	kPa	312.59	Vapour liquid equilibrium for the systems diethyl sulphide + 1-butene, +cis-2-butene, +2-methylpropane, +2-methylpropene, +n-butane, +trans-2-butene
Pvap	18.50	kPa	317.46	Vapour liquid equilibrium for the systems diethyl sulphide + 1-butene, +cis-2-butene, +2-methylpropane, +2-methylpropene, +n-butane, +trans-2-butene
Pvap	18.80	kPa	317.62	Vapour liquid equilibrium for the systems diethyl sulphide + 1-butene, +cis-2-butene, +2-methylpropane, +2-methylpropene, +n-butane, +trans-2-butene
n0	[1.43998; 1.44000]		[298.15; 298.15]
n0	1.44000		298.15	Vapor liquid equilibrium for binary system of diethyl sulfide + cyclohexane at 353.15 and 343.15 K and diethyl sulfide + 2-ethoxy-2-methylpropane at 343.15 and 333.15 K
n0	1.44000		298.15	Vapor-Liquid Equilibrium for Binary System of 1-Propanethiol, Thiophene, and Diethyl Sulfide with Toluene at 90.03 kPa
n0	1.44000		298.15	Vapor-Liquid Equilibrium for Binary System of Diethyl Sulfide + n-Heptane and Diethyl Sulfide + 2,2,4-Trimethylpentane at (363.15 and 353.15) K
n0	1.44000		298.15	Vapor-Liquid Equilibrium for Binary System of Diethyl Sulfide + n-Hexane at (338.15 and 323.15) K and Diethyl Sulfide + 1-Hexene at (333.15 and 323.15) K
n0	1.43998		298.15	Vapor Liquid Equilibrium for Methoxymethane + Thiophene, + Diethylsulfide, + 2-Methyl-2-propanethiol and 1-Hexene, + 1-Propanethiol
ΔfusS	70.35	J/mol×K	169.21	NIST
λ	[0.13; 0.14]	W/m×K	[273.15; 333.15]
λ	0.14	W/m×K	273.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λ	0.14	W/m×K	293.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λ	0.14	W/m×K	313.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
λ	0.13	W/m×K	333.15	Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[265.45; 389.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45990e+01
Coefficient B			-3.28325e+03
Coefficient C			-3.60380e+01
Temperature range, min.			265.45
Temperature range, max.			389.55
Pvap	1.33	kPa	265.45	Calculated Property
Pvap	3.00	kPa	279.24	Calculated Property
Pvap	6.19	kPa	293.03	Calculated Property
Pvap	11.87	kPa	306.82	Calculated Property
Pvap	21.35	kPa	320.61	Calculated Property
Pvap	36.40	kPa	334.39	Calculated Property
Pvap	59.18	kPa	348.18	Calculated Property
Pvap	92.35	kPa	361.97	Calculated Property
Pvap	139.00	kPa	375.76	Calculated Property
Pvap	202.64	kPa	389.55	Calculated Property
Pvap	[4.25e-05; 3818.68]	kPa	[169.20; 557.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.58385e+01
Coefficient B			-6.29676e+03
Coefficient C			-7.56818e+00
Coefficient D			5.03613e-06
Temperature range, min.			169.20
Temperature range, max.			557.15
Pvap	4.25e-05	kPa	169.20	Calculated Property
Pvap	0.02	kPa	212.31	Calculated Property
Pvap	0.65	kPa	255.41	Calculated Property
Pvap	7.88	kPa	298.52	Calculated Property
Pvap	46.70	kPa	341.62	Calculated Property
Pvap	175.43	kPa	384.73	Calculated Property
Pvap	487.31	kPa	427.83	Calculated Property
Pvap	1101.72	kPa	470.94	Calculated Property
Pvap	2157.77	kPa	514.04	Calculated Property
Pvap	3818.68	kPa	557.15	Calculated Property

Similar Compounds

Find more compounds similar to Diethyl sulfide.

Mixtures

• Diethyl sulfide + Cyclohexane
• Propane, 2-ethoxy-2-methyl- + Diethyl sulfide
• 1-Butene + Diethyl sulfide
• 2-Butene, (Z)- + Diethyl sulfide
• Diethyl sulfide + Isobutane
• 1-Propene, 2-methyl- + Diethyl sulfide
• Butane + Diethyl sulfide
• 2-Butene, (E)- + Diethyl sulfide
• Ethanol + Diethyl sulfide
• 1-Propanol + Diethyl sulfide
• n-Propyl acetate + Diethyl sulfide
• Toluene + Diethyl sulfide
• Heptane + Diethyl sulfide
• Pentane, 2,2,4-trimethyl- + Diethyl sulfide
• n-Hexane + Diethyl sulfide
• 1-Hexene + Diethyl sulfide
• Dimethyl ether + Diethyl sulfide

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Vapor liquid equilibrium for binary system of diethyl sulfide + cyclohexane at 353.15 and 343.15 K and diethyl sulfide + 2-ethoxy-2-methylpropane at 343.15 and 333.15 K
• Vapour liquid equilibrium for the systems diethyl sulphide + 1-butene, +cis-2-butene, +2-methylpropane, +2-methylpropene, +n-butane, +trans-2-butene
• Phase equilibria on binary systems containing diethyl sulfide
• An improved static-analytic apparatus for vapor-liquid equilibrium (PTxy) measurement using modified in-situ samplers
• Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
• Vapor-Liquid Equilibrium for Binary System of 1-Propanethiol, Thiophene, and Diethyl Sulfide with Toluene at 90.03 kPa
• Vapor-Liquid Equilibrium for Binary System of Diethyl Sulfide + n-Heptane and Diethyl Sulfide + 2,2,4-Trimethylpentane at (363.15 and 353.15) K
• Vapor-Liquid Equilibrium for Binary System of Diethyl Sulfide + n-Hexane at (338.15 and 323.15) K and Diethyl Sulfide + 1-Hexene at (333.15 and 323.15) K
• Vapor Liquid Equilibrium for Methoxymethane + Thiophene, + Diethylsulfide, + 2-Methyl-2-propanethiol and 1-Hexene, + 1-Propanethiol
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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