Chemical Properties of hexyl propyl sulfide (CAS 24768-43-2)

InChI

InChI=1S/C9H20S/c1-3-5-6-7-9-10-8-4-2/h3-9H2,1-2H3

InChI Key

ABZLKKGJOVPBBL-UHFFFAOYSA-N

Formula

C9H20S

SMILES

CCCCCCSCCC

Molecular Weight¹

160.32

CAS

24768-43-2

Other Names

• 4-Thiadecane
• Hexane, 1-(propylthio)-

• 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_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	0.4463		Relay (1.0) Calculated Property
ΔfG°	58.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-194.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.20	kJ/mol	Joback Calculated Property
ΔvapH°	56.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-4.48		Relay (1.0) Calculated Property
logPoct/wat	3.710		Crippen Calculated Property
McVol	154.020	ml/mol	McGowan Calculated Property
Pc	2345.09	kPa	Joback Calculated Property
Inp	[1182.00; 1182.00]
Inp	1182.00		NIST
Inp	1182.00		NIST
I	[1367.00; 1393.00]
I	1372.00		NIST
I	1367.00		NIST
I	1393.00		NIST
I	1372.00		NIST
Tboil	473.16	K	Relay (1.0) Calculated Property
Tc	664.66	K	Relay (1.0) Calculated Property
Tfus	217.34	K	Relay (1.0) Calculated Property
Vc	0.586	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.44; 410.88]	J/mol×K	[474.10; 657.88]
Cp,gas	330.44	J/mol×K	474.10	Joback Calculated Property
Cp,gas	345.32	J/mol×K	504.73	Joback Calculated Property
Cp,gas	359.59	J/mol×K	535.36	Joback Calculated Property
Cp,gas	373.27	J/mol×K	565.99	Joback Calculated Property
Cp,gas	386.37	J/mol×K	596.62	Joback Calculated Property
Cp,gas	398.90	J/mol×K	627.25	Joback Calculated Property
Cp,gas	410.88	J/mol×K	657.88	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[360.37; 495.11]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.59618e+01
Coefficient B			-4.47734e+03
Coefficient C			-7.47180e+01
Temperature range, min.			360.37
Temperature range, max.			495.11
Pvap	1.33	kPa	360.37	Calculated Property
Pvap	2.91	kPa	375.34	Calculated Property
Pvap	5.90	kPa	390.31	Calculated Property
Pvap	11.22	kPa	405.28	Calculated Property
Pvap	20.17	kPa	420.25	Calculated Property
Pvap	34.55	kPa	435.23	Calculated Property
Pvap	56.68	kPa	450.20	Calculated Property
Pvap	89.54	kPa	465.17	Calculated Property
Pvap	136.75	kPa	480.14	Calculated Property
Pvap	202.64	kPa	495.11	Calculated Property

Similar Compounds

Find more compounds similar to hexyl propyl 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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