Chemical Properties of Diethyl disulfide (CAS 110-81-6)

InChI

InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3

InChI Key

CETBSQOFQKLHHZ-UHFFFAOYSA-N

Formula

C4H10S2

SMILES

CCSSCC

Molecular Weight¹

122.25

CAS

110-81-6

Other Names

• (C2H5S)2
• 1-(Ethyldisulfanyl)ethane
• 3,4-Dithiahexane
• Diethyl disulphide
• Diethyldisulfid
• Disulfide, diethyl
• Ethyl disulfide
• Ethyl disulphide
• Ethyldithioethane
• NSC 8839
• diethyldisulfide

• 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).
• 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°_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).
• 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).
• 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
ΔcH°liquid	-4087.70 ± 0.79	kJ/mol	NIST
EA	1.90	eV	NIST
ΔfG°	49.04	kJ/mol	Joback Calculated Property
ΔfH°gas	[-74.70; -74.60]	kJ/mol
ΔfH°gas	-74.60 ± 3.50	kJ/mol	NIST
ΔfH°gas	-74.70 ± 1.00	kJ/mol	NIST
ΔfH°liquid	[-120.10; -120.00]	kJ/mol
ΔfH°liquid	-120.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-120.10 ± 1.00	kJ/mol	NIST
ΔfusH°	14.38	kJ/mol	Joback Calculated Property
ΔvapH°	38.13	kJ/mol	Joback Calculated Property
IE	[8.27; 8.85]	eV
IE	8.30 ± 0.15	eV	NIST
IE	8.27 ± 0.03	eV	NIST
IE	8.77	eV	NIST
IE	8.70	eV	NIST
IE	8.85	eV	NIST
IE	8.70	eV	NIST
log10WS	[-2.42; -2.42]
log10WS	-2.42		Aq. Sol...
log10WS	-2.42		Estimat...
logPoct/wat	2.408		Crippen Calculated Property
McVol	99.920	ml/mol	McGowan Calculated Property
Pc	4067.32	kPa	Joback Calculated Property
Inp	[901.00; 952.00]
Inp	923.00		NIST
Inp	935.00		NIST
Inp	917.00		NIST
Inp	923.00		NIST
Inp	901.00		NIST
Inp	921.00		NIST
Inp	904.00		NIST
Inp	932.00		NIST
Inp	910.00		NIST
Inp	926.00		NIST
Inp	935.00		NIST
Inp	925.00		NIST
Inp	911.00		NIST
Inp	922.00		NIST
Inp	916.00		NIST
Inp	910.00		NIST
Inp	927.00		NIST
Inp	933.00		NIST
Inp	910.00		NIST
Inp	Outlier 952.00		NIST
Inp	935.00		NIST
Inp	913.00		NIST
Inp	912.00		NIST
Inp	910.00		NIST
Inp	925.00		NIST
Inp	903.00		NIST
Inp	903.00		NIST
Inp	936.00		NIST
Inp	923.00		NIST
Inp	921.00		NIST
Inp	925.00		NIST
Inp	927.00		NIST
Inp	926.00		NIST
I	[1187.00; 1257.00]
I	1244.00		NIST
I	1215.00		NIST
I	1217.00		NIST
I	1192.00		NIST
I	1192.00		NIST
I	1246.00		NIST
I	1197.00		NIST
I	1210.00		NIST
I	1210.00		NIST
I	1248.00		NIST
I	1187.00		NIST
I	1209.00		NIST
I	1232.00		NIST
I	1257.00		NIST
I	1197.00		NIST
I	1209.00		NIST
I	1232.00		NIST
I	1244.00		NIST
S°liquid	305.01	J/mol×K	NIST
Tboil	[425.20; 427.20]	K
Tboil	425.20	K	NIST
Tboil	427.20	K	NIST
Tboil	427.20	K	NIST
Tboil	427.00 ± 1.50	K	NIST
Tc	642.00	K	NIST
Tfus	[171.40; 172.00]	K
Tfus	171.40	K	Aq. Sol...
Tfus	172.00 ± 0.20	K	NIST
Ttriple	171.64 ± 0.02	K	NIST
Vc	0.367	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.81; 226.91]	J/mol×K	[428.48; 646.67]
Cp,gas	175.81	J/mol×K	428.48	Joback Calculated Property
Cp,gas	185.27	J/mol×K	464.85	Joback Calculated Property
Cp,gas	194.36	J/mol×K	501.21	Joback Calculated Property
Cp,gas	203.07	J/mol×K	537.58	Joback Calculated Property
Cp,gas	211.40	J/mol×K	573.94	Joback Calculated Property
Cp,gas	219.35	J/mol×K	610.31	Joback Calculated Property
Cp,gas	226.91	J/mol×K	646.67	Joback Calculated Property
Cp,liquid	204.01	J/mol×K	298.15	NIST
ΔfusH	[9.40; 9.40]	kJ/mol	[171.60; 171.64]
ΔfusH	9.40	kJ/mol	171.60	NIST
ΔfusH	9.40	kJ/mol	171.60	NIST
ΔfusH	9.40	kJ/mol	171.64	NIST
ΔvapH	[37.58; 45.70]	kJ/mol	[360.50; 427.20]
ΔvapH	45.70	kJ/mol	360.50	NIST
ΔvapH	40.90 ± 0.10	kJ/mol	373.73	NIST
ΔvapH	41.50	kJ/mol	396.00	NIST
ΔvapH	40.90	kJ/mol	402.00	NIST
ΔvapH	37.58	kJ/mol	427.20	NIST
Pvap	[15.80; 100.70]	kPa	[366.97; 426.39]
Pvap	15.80	kPa	366.97	Phase e...
Pvap	24.10	kPa	378.82	Phase e...
Pvap	32.30	kPa	387.59	Phase e...
Pvap	44.40	kPa	397.84	Phase e...
Pvap	52.80	kPa	403.31	Phase e...
Pvap	62.20	kPa	408.91	Phase e...
Pvap	71.10	kPa	413.59	Phase e...
Pvap	82.10	kPa	418.73	Phase e...
Pvap	90.50	kPa	422.25	Phase e...
Pvap	100.70	kPa	426.39	Phase e...
ΔfusS	54.79	J/mol×K	171.64	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[310.74; 453.20]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48234e+01
Coefficient B			-3.92063e+03
Coefficient C			-4.10150e+01
Temperature range, min.			310.74
Temperature range, max.			453.20
Pvap	1.33	kPa	310.74	Calculated Property
Pvap	2.98	kPa	326.57	Calculated Property
Pvap	6.14	kPa	342.40	Calculated Property
Pvap	11.75	kPa	358.23	Calculated Property
Pvap	21.14	kPa	374.06	Calculated Property
Pvap	36.06	kPa	389.88	Calculated Property
Pvap	58.73	kPa	405.71	Calculated Property
Pvap	91.86	kPa	421.54	Calculated Property
Pvap	138.61	kPa	437.37	Calculated Property
Pvap	202.66	kPa	453.20	Calculated Property
Pvap	[2.14e-07; 3660.74]	kPa	[171.63; 642.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.72140e+01
Coefficient B			-7.89627e+03
Coefficient C			-9.07739e+00
Coefficient D			4.78576e-06
Temperature range, min.			171.63
Temperature range, max.			642.00
Pvap	2.14e-07	kPa	171.63	Calculated Property
Pvap	9.75e-04	kPa	223.89	Calculated Property
Pvap	0.13	kPa	276.16	Calculated Property
Pvap	2.97	kPa	328.42	Calculated Property
Pvap	25.22	kPa	380.68	Calculated Property
Pvap	117.60	kPa	432.95	Calculated Property
Pvap	374.99	kPa	485.21	Calculated Property
Pvap	931.28	kPa	537.47	Calculated Property
Pvap	1954.95	kPa	589.74	Calculated Property
Pvap	3660.74	kPa	642.00	Calculated Property

Similar Compounds

Find more compounds similar to Diethyl disulfide.

Mixtures

• Diethyl disulfide + Pentane, 2,2,4-trimethyl-
• Hexatriacontane + Diethyl disulfide
• Hexatriacontane + Naphthalene, decahydro- + Diethyl disulfide

Sources

• KDB Vapor Pressure Data
• 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
• Phase equilibria for systems containing dimethyl disulfide and diethyl disulfide with hydrocarbons at 368.15 K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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