Chemical Properties of Disulfide, ethyl 1-methylethyl (CAS 53966-36-2)

InChI

InChI=1S/C5H12S2/c1-4-6-7-5(2)3/h5H,4H2,1-3H3

InChI Key

PUUCPZKSTXFGOC-UHFFFAOYSA-N

Formula

C5H12S2

SMILES

CCSSC(C)C

Molecular Weight¹

136.28

CAS

53966-36-2

Other Names

• 2-Methyl-3,4-dithiahexane
• Disulfide, ethyl isopropyl
• Ethyl 1-methylethyl disulfide
• Ethyl i-propyl disulfide
• Ethyl isopropyl 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).
• 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°	55.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-68.07	kJ/mol	Joback Calculated Property
ΔfusH°	13.44	kJ/mol	Joback Calculated Property
ΔvapH°	39.97	kJ/mol	Joback Calculated Property
log10WS	-2.79		Crippen Calculated Property
logPoct/wat	2.796		Crippen Calculated Property
McVol	114.010	ml/mol	McGowan Calculated Property
Pc	3646.53	kPa	Joback Calculated Property
Inp	[970.00; 985.00]
Inp	985.00		NIST
Inp	970.00		NIST
Inp	984.00		NIST
I	[1319.00; 1319.00]
I	1319.00		NIST
I	1319.00		NIST
Tboil	438.00 ± 1.50	K	NIST
Tc	671.44	K	Joback Calculated Property
Tfus	199.91	K	Joback Calculated Property
Vc	0.417	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.94; 274.48]	J/mol×K	[450.92; 671.44]
Cp,gas	213.94	J/mol×K	450.92	Joback Calculated Property
Cp,gas	225.27	J/mol×K	487.67	Joback Calculated Property
Cp,gas	236.10	J/mol×K	524.43	Joback Calculated Property
Cp,gas	246.44	J/mol×K	561.18	Joback Calculated Property
Cp,gas	256.29	J/mol×K	597.94	Joback Calculated Property
Cp,gas	265.64	J/mol×K	634.69	Joback Calculated Property
Cp,gas	274.48	J/mol×K	671.44	Joback Calculated Property
ΔvapH	[42.50; 42.90]	kJ/mol	[395.00; 397.50]
ΔvapH	42.90	kJ/mol	395.00	NIST
ΔvapH	42.50	kJ/mol	397.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[327.95; 472.42]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45211e+01
Coefficient B			-3.76979e+03
Coefficient C			-6.30930e+01
Temperature range, min.			327.95
Temperature range, max.			472.42
Pvap	1.33	kPa	327.95	Calculated Property
Pvap	3.01	kPa	344.00	Calculated Property
Pvap	6.21	kPa	360.05	Calculated Property
Pvap	11.91	kPa	376.11	Calculated Property
Pvap	21.44	kPa	392.16	Calculated Property
Pvap	36.52	kPa	408.21	Calculated Property
Pvap	59.35	kPa	424.26	Calculated Property
Pvap	92.53	kPa	440.32	Calculated Property
Pvap	139.14	kPa	456.37	Calculated Property
Pvap	202.63	kPa	472.42	Calculated Property

Similar Compounds

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

Sources

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

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