Chemical Properties of 1,2-Ethanedithiol (CAS 540-63-6)

InChI

InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2

InChI Key

VYMPLPIFKRHAAC-UHFFFAOYSA-N

Formula

C2H6S2

SMILES

SCCS

Molecular Weight¹

94.20

CAS

540-63-6

Other Names

• 1,2-Dimercaptoethane
• 1,2-Dithiolethane
• 1,2-Ethanethiol
• DITHIOGLYCOL
• Dithioethyleneglycol
• ETHYLENEDITHIOL
• Ethane-1,2-dithiol
• Ethylene dithioglycol
• Ethylene glycol, dithio-
• Ethylenedimercaptan
• NSC 60481
• S-ETHYLENE DIMERCAPTAN

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas 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_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.
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-2794.90 ± 0.92	kJ/mol	NIST
ΔfG°	24.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-9.30 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-54.00 ± 1.10	kJ/mol	NIST
ΔfusH°	9.02	kJ/mol	Joback Calculated Property
ΔvapH°	[44.69; 44.70]	kJ/mol
ΔvapH°	44.69	kJ/mol	NIST
ΔvapH°	44.70 ± 0.10	kJ/mol	NIST
ΔvapH°	44.70	kJ/mol	NIST
ΔvapH°	44.70	kJ/mol	NIST
IE	[9.00; 9.35]	eV
IE	9.30	eV	NIST
IE	9.00	eV	NIST
IE	9.35	eV	NIST
log10WS	-0.80		Crippen Calculated Property
logPoct/wat	0.846		Crippen Calculated Property
McVol	71.740	ml/mol	McGowan Calculated Property
Pc	6084.49	kPa	Joback Calculated Property
Inp	[801.00; 844.00]
Inp	844.00		NIST
Inp	801.00		NIST
Inp	844.00		NIST
Inp	815.00		NIST
Inp	805.00		NIST
Inp	805.00		NIST
Inp	844.00		NIST
Inp	815.00		NIST
I	[1318.00; 1348.00]
I	1344.00		NIST
I	1348.00		NIST
I	1330.00		NIST
I	1318.00		NIST
I	1344.00		NIST
I	1330.00		NIST
I	1348.00		NIST
Tboil	[418.00; 419.20]	K
Tboil	419.20	K	NIST
Tboil	419.20	K	NIST
Tboil	418.00 ± 4.00	K	NIST
Tc	593.86	K	Joback Calculated Property
Tfus	185.22	K	Joback Calculated Property
Vc	0.256	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[106.34; 137.57]	J/mol×K	[370.88; 593.86]
Cp,gas	106.34	J/mol×K	370.88	Joback Calculated Property
Cp,gas	112.22	J/mol×K	408.04	Joback Calculated Property
Cp,gas	117.81	J/mol×K	445.21	Joback Calculated Property
Cp,gas	123.14	J/mol×K	482.37	Joback Calculated Property
Cp,gas	128.21	J/mol×K	519.53	Joback Calculated Property
Cp,gas	133.02	J/mol×K	556.70	Joback Calculated Property
Cp,gas	137.57	J/mol×K	593.86	Joback Calculated Property
ΔvapH	37.93	kJ/mol	419.20	NIST
n0	1.55620		293.10	Isother...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[308.36; 446.73]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44126e+01
Coefficient B			-3.54074e+03
Coefficient C			-5.76880e+01
Temperature range, min.			308.36
Temperature range, max.			446.73
Pvap	1.33	kPa	308.36	Calculated Property
Pvap	3.02	kPa	323.73	Calculated Property
Pvap	6.24	kPa	339.11	Calculated Property
Pvap	11.97	kPa	354.48	Calculated Property
Pvap	21.55	kPa	369.86	Calculated Property
Pvap	36.69	kPa	385.23	Calculated Property
Pvap	59.58	kPa	400.61	Calculated Property
Pvap	92.79	kPa	415.98	Calculated Property
Pvap	139.34	kPa	431.36	Calculated Property
Pvap	202.63	kPa	446.73	Calculated Property
Pvap	[3.70; 77.15]	kPa	[328.15; 408.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.27543e+02
Coefficient B			-1.00178e+04
Coefficient C			-1.67433e+01
Coefficient D			1.20163e-05
Temperature range, min.			328.15
Temperature range, max.			408.15
Pvap	3.70	kPa	328.15	Calculated Property
Pvap	5.67	kPa	337.04	Calculated Property
Pvap	8.47	kPa	345.93	Calculated Property
Pvap	12.33	kPa	354.82	Calculated Property
Pvap	17.54	kPa	363.71	Calculated Property
Pvap	24.43	kPa	372.59	Calculated Property
Pvap	33.39	kPa	381.48	Calculated Property
Pvap	44.84	kPa	390.37	Calculated Property
Pvap	59.25	kPa	399.26	Calculated Property
Pvap	77.15	kPa	408.15	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Ethanedithiol.

Mixtures

• 1,2-Ethanedithiol + Isobutane
• Butane + 1,2-Ethanedithiol

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Isothermal Binary Vapor-Liquid Equilibrium for 2-Methylpropane and n-Butane with 1,2-Ethanedithiol and 2-Methyl-2-propanethiol
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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