Chemical Properties of Pentane, 1-(ethylthio)- (CAS 26158-99-6)

InChI

InChI=1S/C7H16S/c1-3-5-6-7-8-4-2/h3-7H2,1-2H3

InChI Key

SOGIWVXLDPPMMF-UHFFFAOYSA-N

Formula

C7H16S

SMILES

CCCCCSCC

Molecular Weight¹

132.27

CAS

26158-99-6

Other Names

• 1-(Ethylsulfanyl)pentane
• 3-Thiaoctane
• Ethyl pentyl sulfide
• Pentyl ethyl sulfide
• Sulfide, ethyl pentyl
• n-Amyl ethyl 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_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	0.3487		Relay (1.0) Calculated Property
ΔfG°	41.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-147.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.02	kJ/mol	Joback Calculated Property
ΔvapH°	48.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-3.38		Relay (1.0) Calculated Property
logPoct/wat	2.930		Crippen Calculated Property
McVol	125.840	ml/mol	McGowan Calculated Property
Pc	2850.52	kPa	Joback Calculated Property
Inp	[992.00; 992.00]
Inp	992.00		NIST
Inp	992.00		NIST
Inp	992.00		NIST
I	[1188.60; 1212.00]
I	1193.00		NIST
I	1188.60		NIST
I	1212.00		NIST
I	1193.00		NIST
Tboil	436.76	K	Relay (1.0) Calculated Property
Tc	622.28	K	Relay (1.0) Calculated Property
Tfus	199.63	K	Relay (1.0) Calculated Property
Vc	0.470	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.59; 314.75]	J/mol×K	[428.34; 615.63]
Cp,gas	245.59	J/mol×K	428.34	Joback Calculated Property
Cp,gas	258.33	J/mol×K	459.56	Joback Calculated Property
Cp,gas	270.58	J/mol×K	490.77	Joback Calculated Property
Cp,gas	282.33	J/mol×K	521.99	Joback Calculated Property
Cp,gas	293.61	J/mol×K	553.20	Joback Calculated Property
Cp,gas	304.41	J/mol×K	584.42	Joback Calculated Property
Cp,gas	314.75	J/mol×K	615.63	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[327.14; 450.98]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60207e+01
Coefficient B			-4.15311e+03
Coefficient C			-6.31730e+01
Temperature range, min.			327.14
Temperature range, max.			450.98
Pvap	1.33	kPa	327.14	Calculated Property
Pvap	2.91	kPa	340.90	Calculated Property
Pvap	5.89	kPa	354.66	Calculated Property
Pvap	11.19	kPa	368.42	Calculated Property
Pvap	20.12	kPa	382.18	Calculated Property
Pvap	34.47	kPa	395.94	Calculated Property
Pvap	56.59	kPa	409.70	Calculated Property
Pvap	89.44	kPa	423.46	Calculated Property
Pvap	136.67	kPa	437.22	Calculated Property
Pvap	202.66	kPa	450.98	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 1-(ethylthio)-.

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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