Chemical Properties of Decyl methyl sulfide (CAS 22438-39-7)

InChI

InChI=1S/C11H24S/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3

InChI Key

HKGUUZAACYBIID-UHFFFAOYSA-N

Formula

C11H24S

SMILES

CCCCCCCCCCSC

Molecular Weight¹

188.37

CAS

22438-39-7

Other Names

• 1-(Methylsulfanyl)decane
• 2-Thiadodecane
• Decane, 1-(methylthio)-
• decyl methyl sulphide
• n-Decyl methyl sulfide

• ω : Acentric Factor.
• 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).
• 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_boilr : Boiling point at reduced pressure (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
ω	0.5478		Relay (1.0) Calculated Property
ΔfG°	74.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-244.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.38	kJ/mol	Joback Calculated Property
ΔvapH°	67.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-5.55		Relay (1.0) Calculated Property
logPoct/wat	4.490		Crippen Calculated Property
McVol	182.200	ml/mol	McGowan Calculated Property
Pc	1963.07	kPa	Joback Calculated Property
Inp	[1419.00; 1419.00]
Inp	1419.00		NIST
Inp	1419.00		NIST
Inp	1419.00		NIST
I	1656.00		NIST
Tboil	518.73	K	Relay (1.0) Calculated Property
Tc	703.43	K	Relay (1.0) Calculated Property
Tfus	270.34	K	Relay (1.0) Calculated Property
Vc	0.703	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[423.34; 512.48]	J/mol×K	[519.86; 700.00]
Cp,gas	423.34	J/mol×K	519.86	Joback Calculated Property
Cp,gas	439.87	J/mol×K	549.88	Joback Calculated Property
Cp,gas	455.71	J/mol×K	579.91	Joback Calculated Property
Cp,gas	470.88	J/mol×K	609.93	Joback Calculated Property
Cp,gas	485.39	J/mol×K	639.95	Joback Calculated Property
Cp,gas	499.25	J/mol×K	669.98	Joback Calculated Property
Cp,gas	512.48	J/mol×K	700.00	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[392.05; 533.35]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62022e+01
Coefficient B			-4.87498e+03
Coefficient C			-8.57270e+01
Temperature range, min.			392.05
Temperature range, max.			533.35
Pvap	1.33	kPa	392.05	Calculated Property
Pvap	2.90	kPa	407.75	Calculated Property
Pvap	5.86	kPa	423.45	Calculated Property
Pvap	11.12	kPa	439.15	Calculated Property
Pvap	19.99	kPa	454.85	Calculated Property
Pvap	34.26	kPa	470.55	Calculated Property
Pvap	56.30	kPa	486.25	Calculated Property
Pvap	89.10	kPa	501.95	Calculated Property
Pvap	136.39	kPa	517.65	Calculated Property
Pvap	202.63	kPa	533.35	Calculated Property

Similar Compounds

Find more compounds similar to Decyl methyl sulfide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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