Chemical Properties of Ethane, 1,1'-[methylenebis(thio)]bis- (CAS 4396-19-4)

InChI

InChI=1S/C5H12S2/c1-3-6-5-7-4-2/h3-5H2,1-2H3

InChI Key

RJQVVQDWHKZIHU-UHFFFAOYSA-N

Formula

C5H12S2

SMILES

CCSCSCC

Molecular Weight¹

136.28

CAS

4396-19-4

Other Names

• 1,1-bis(Ethylthio)methane
• 3,5-Dithiaheptane
• Bis(ethylthio)methane
• C2H5SCH2SC2H5
• Di(ethylthio)methane
• Formaldehyde diethyl mercaptal
• Methane, bis(ethylthio)-

• 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).
• 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.
• 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	-4770.50 ± 1.10	kJ/mol	NIST
ΔfG°	57.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-65.20 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-116.00 ± 1.50	kJ/mol	NIST
ΔfusH°	16.97	kJ/mol	Joback Calculated Property
ΔvapH°	[50.80; 50.80]	kJ/mol
ΔvapH°	50.80	kJ/mol	NIST
ΔvapH°	50.80 ± 0.16	kJ/mol	NIST
ΔvapH°	50.80	kJ/mol	NIST
IE	[8.22; 8.66]	eV
IE	8.22 ± 0.02	eV	NIST
IE	8.66	eV	NIST
log10WS	-2.18		Crippen Calculated Property
logPoct/wat	2.450		Crippen Calculated Property
McVol	114.010	ml/mol	McGowan Calculated Property
Pc	3611.55	kPa	Joback Calculated Property
Inp	[1054.00; 1055.00]
Inp	1054.00		NIST
Inp	1055.00		NIST
Tboil	451.36	K	Joback Calculated Property
Tc	666.63	K	Joback Calculated Property
Tfus	214.91	K	Joback Calculated Property
Vc	0.423	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.79; 272.66]	J/mol×K	[451.36; 666.63]
Cp,gas	213.79	J/mol×K	451.36	Joback Calculated Property
Cp,gas	224.75	J/mol×K	487.24	Joback Calculated Property
Cp,gas	235.26	J/mol×K	523.12	Joback Calculated Property
Cp,gas	245.30	J/mol×K	558.99	Joback Calculated Property
Cp,gas	254.88	J/mol×K	594.87	Joback Calculated Property
Cp,gas	264.00	J/mol×K	630.75	Joback Calculated Property
Cp,gas	272.66	J/mol×K	666.63	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[328.50; 472.26]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45427e+01
Coefficient B			-3.76564e+03
Coefficient C			-6.43390e+01
Temperature range, min.			328.50
Temperature range, max.			472.26
Pvap	1.33	kPa	328.50	Calculated Property
Pvap	3.01	kPa	344.47	Calculated Property
Pvap	6.21	kPa	360.45	Calculated Property
Pvap	11.90	kPa	376.42	Calculated Property
Pvap	21.41	kPa	392.39	Calculated Property
Pvap	36.49	kPa	408.37	Calculated Property
Pvap	59.30	kPa	424.34	Calculated Property
Pvap	92.48	kPa	440.31	Calculated Property
Pvap	139.10	kPa	456.29	Calculated Property
Pvap	202.63	kPa	472.26	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1,1'-[methylenebis(thio)]bis-.

Sources

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

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