Chemical Properties of Decyl sulfide (CAS 693-83-4)

InChI

InChI=1S/C20H42S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3

InChI Key

RKYMVQJWYYOIJB-UHFFFAOYSA-N

Formula

C20H42S

SMILES

CCCCCCCCCCSCCCCCCCCCC

Molecular Weight¹

314.61

CAS

693-83-4

Other Names

• 11-Thiaheneicosane
• Decane, 1,1'-thiobis-
• Didecyl sulfide
• di-n-Decyl sulfide
• didecyl sulphide
• n-Decyl sulfide

• 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).
• 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
ΔfG°	150.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-414.26	kJ/mol	Joback Calculated Property
ΔfusH°	51.69	kJ/mol	Joback Calculated Property
ΔvapH°	66.93	kJ/mol	Joback Calculated Property
log10WS	-8.08		Crippen Calculated Property
logPoct/wat	8.001		Crippen Calculated Property
McVol	309.010	ml/mol	McGowan Calculated Property
Pc	1026.63	kPa	Joback Calculated Property
Inp	[2281.00; 2295.00]
Inp	2281.00		NIST
Inp	2285.00		NIST
Inp	2295.00		NIST
Inp	2295.00		NIST
Tboil	725.78	K	Joback Calculated Property
Tc	900.07	K	Joback Calculated Property
Tfus	300.40 ± 2.00	K	NIST
Vc	1.210	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[918.76; 1028.53]	J/mol×K	[725.78; 900.07]
Cp,gas	918.76	J/mol×K	725.78	Joback Calculated Property
Cp,gas	939.38	J/mol×K	754.83	Joback Calculated Property
Cp,gas	959.02	J/mol×K	783.88	Joback Calculated Property
Cp,gas	977.73	J/mol×K	812.92	Joback Calculated Property
Cp,gas	995.53	J/mol×K	841.97	Joback Calculated Property
Cp,gas	1012.46	J/mol×K	871.02	Joback Calculated Property
Cp,gas	1028.53	J/mol×K	900.07	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[485.34; 674.27]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50751e+01
Coefficient B			-5.42985e+03
Coefficient C			-1.18144e+02
Temperature range, min.			485.34
Temperature range, max.			674.27
Pvap	1.33	kPa	485.34	Calculated Property
Pvap	2.97	kPa	506.33	Calculated Property
Pvap	6.08	kPa	527.32	Calculated Property
Pvap	11.62	kPa	548.32	Calculated Property
Pvap	20.90	kPa	569.31	Calculated Property
Pvap	35.70	kPa	590.30	Calculated Property
Pvap	58.24	kPa	611.29	Calculated Property
Pvap	91.30	kPa	632.29	Calculated Property
Pvap	138.16	kPa	653.28	Calculated Property
Pvap	202.63	kPa	674.27	Calculated Property

Similar Compounds

Find more compounds similar to Decyl sulfide.

Sources

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

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