Chemical Properties of Disulfide, 1,1-dimethylethyl ethyl (CAS 4151-69-3)

InChI

InChI=1S/C6H14S2/c1-5-7-8-6(2,3)4/h5H2,1-4H3

InChI Key

CLMXSBZIYJITQU-UHFFFAOYSA-N

Formula

C6H14S2

SMILES

CCSSC(C)(C)C

Molecular Weight¹

150.31

CAS

4151-69-3

Other Names

• 2,2-Dimethyl-3,4-dithiahexane
• 2-Methyl-2-propyl ethyl disulfide
• Disulfide, tert-butyl ethyl
• Ethyl t-butyl disulfide
• Ethyl tert-butyl disulfide
• tert-Butyl Ethyl disulfide

• 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_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).
• 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
ΔfG°	68.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-92.18	kJ/mol	Joback Calculated Property
ΔfusH°	12.14	kJ/mol	Joback Calculated Property
ΔvapH°	41.29	kJ/mol	Joback Calculated Property
IE	8.20 ± 0.80	eV	NIST
log10WS	-3.20		Crippen Calculated Property
logPoct/wat	3.186		Crippen Calculated Property
McVol	128.100	ml/mol	McGowan Calculated Property
Pc	3299.15	kPa	Joback Calculated Property
Inp	[1023.00; 1023.00]
Inp	1023.00		NIST
Inp	1023.00		NIST
Inp	1023.00		NIST
I	1299.00		NIST
Tboil	448.00 ± 1.50	K	NIST
Tc	697.89	K	Joback Calculated Property
Tfus	206.40 ± 0.20	K	NIST
Vc	0.469	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.06; 326.87]	J/mol×K	[471.01; 697.89]
Cp,gas	257.06	J/mol×K	471.01	Joback Calculated Property
Cp,gas	270.59	J/mol×K	508.82	Joback Calculated Property
Cp,gas	283.33	J/mol×K	546.64	Joback Calculated Property
Cp,gas	295.30	J/mol×K	584.45	Joback Calculated Property
Cp,gas	306.53	J/mol×K	622.27	Joback Calculated Property
Cp,gas	317.05	J/mol×K	660.08	Joback Calculated Property
Cp,gas	326.87	J/mol×K	697.89	Joback Calculated Property
ΔvapH	43.40	kJ/mol	417.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[327.85; 478.31]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40333e+01
Coefficient B			-3.59032e+03
Coefficient C			-6.66580e+01
Temperature range, min.			327.85
Temperature range, max.			478.31
Pvap	1.33	kPa	327.85	Calculated Property
Pvap	3.05	kPa	344.57	Calculated Property
Pvap	6.34	kPa	361.29	Calculated Property
Pvap	12.20	kPa	378.00	Calculated Property
Pvap	21.96	kPa	394.72	Calculated Property
Pvap	37.34	kPa	411.44	Calculated Property
Pvap	60.43	kPa	428.16	Calculated Property
Pvap	93.74	kPa	444.87	Calculated Property
Pvap	140.10	kPa	461.59	Calculated Property
Pvap	202.66	kPa	478.31	Calculated Property

Similar Compounds

Find more compounds similar to Disulfide, 1,1-dimethylethyl ethyl.

Sources

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

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