Chemical Properties of 1,2-Bis(ethylthio)ethane (CAS 5395-75-5)

InChI

InChI=1S/C6H14S2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3

InChI Key

DCXDVGKTBDNYRX-UHFFFAOYSA-N

Formula

C6H14S2

SMILES

CCSCCSCC

Molecular Weight¹

150.31

CAS

5395-75-5

Other Names

• 3,6-Dithiaoctane
• Dimethylenebis[ethyl sulfide]
• Ethane, 1,2-bis(ethylthio)-
• Ethyl 2-(ethylthio)ethyl sulfide

• 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).
• 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.
• 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	-5423.37 ± 0.91	kJ/mol	NIST
ΔfG°	65.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-83.00 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-142.50 ± 1.50	kJ/mol	NIST
ΔfusH°	19.56	kJ/mol	Joback Calculated Property
ΔvapH°	[50.80; 59.50]	kJ/mol
ΔvapH°	59.50	kJ/mol	NIST
ΔvapH°	59.50 ± 0.25	kJ/mol	NIST
ΔvapH°	59.50	kJ/mol	NIST
ΔvapH°	Outlier 50.80 ± 0.20	kJ/mol	NIST
ΔvapH°	59.50 ± 0.10	kJ/mol	NIST
log10WS	-2.10		Crippen Calculated Property
logPoct/wat	2.493		Crippen Calculated Property
McVol	128.100	ml/mol	McGowan Calculated Property
Pc	3228.31	kPa	Joback Calculated Property
Inp	[1180.00; 1180.00]
Inp	1180.00		NIST
Inp	1180.00		NIST
Tboil	474.24	K	Joback Calculated Property
Tc	686.46	K	Joback Calculated Property
Tfus	226.18	K	Joback Calculated Property
Vc	0.479	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[254.01; 319.76]	J/mol×K	[474.24; 686.46]
Cp,gas	254.01	J/mol×K	474.24	Joback Calculated Property
Cp,gas	266.31	J/mol×K	509.61	Joback Calculated Property
Cp,gas	278.07	J/mol×K	544.98	Joback Calculated Property
Cp,gas	289.29	J/mol×K	580.35	Joback Calculated Property
Cp,gas	299.98	J/mol×K	615.72	Joback Calculated Property
Cp,gas	310.13	J/mol×K	651.09	Joback Calculated Property
Cp,gas	319.76	J/mol×K	686.46	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[358.49; 490.10]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60411e+01
Coefficient B			-4.42805e+03
Coefficient C			-7.74120e+01
Temperature range, min.			358.49
Temperature range, max.			490.10
Pvap	1.33	kPa	358.49	Calculated Property
Pvap	2.90	kPa	373.11	Calculated Property
Pvap	5.88	kPa	387.74	Calculated Property
Pvap	11.18	kPa	402.36	Calculated Property
Pvap	20.11	kPa	416.98	Calculated Property
Pvap	34.45	kPa	431.61	Calculated Property
Pvap	56.55	kPa	446.23	Calculated Property
Pvap	89.39	kPa	460.85	Calculated Property
Pvap	136.62	kPa	475.48	Calculated Property
Pvap	202.63	kPa	490.10	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Bis(ethylthio)ethane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.