Chemical Properties of Pentane, 1-[(1-methylethyl)thio]- (CAS 7352-00-3)

InChI

InChI=1S/C8H18S/c1-4-5-6-7-9-8(2)3/h8H,4-7H2,1-3H3

InChI Key

RLUYWKZJDJALNT-UHFFFAOYSA-N

Formula

C8H18S

SMILES

CCCCCSC(C)C

Molecular Weight¹

146.29

CAS

7352-00-3

Other Names

• 1-(Isopropylsulfanyl)pentane
• 2-Methyl-3-thiaoctane
• Pentyl isopropyl sulfide
• Sulfide, isopropyl pentyl

• 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°	47.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-171.86	kJ/mol	Joback Calculated Property
ΔfusH°	17.08	kJ/mol	Joback Calculated Property
ΔvapH°	39.83	kJ/mol	Joback Calculated Property
log10WS	-3.17		Crippen Calculated Property
logPoct/wat	3.318		Crippen Calculated Property
McVol	139.930	ml/mol	McGowan Calculated Property
Pc	2600.43	kPa	Joback Calculated Property
Inp	[1034.00; 1034.00]
Inp	1034.00		NIST
Inp	1034.00		NIST
Inp	1034.00		NIST
Inp	1034.00		NIST
Tboil	450.78	K	Joback Calculated Property
Tc	640.58	K	Joback Calculated Property
Tfus	199.32	K	Joback Calculated Property
Vc	0.531	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.04; 364.09]	J/mol×K	[450.78; 640.58]
Cp,gas	287.04	J/mol×K	450.78	Joback Calculated Property
Cp,gas	301.31	J/mol×K	482.41	Joback Calculated Property
Cp,gas	315.00	J/mol×K	514.05	Joback Calculated Property
Cp,gas	328.11	J/mol×K	545.68	Joback Calculated Property
Cp,gas	340.66	J/mol×K	577.31	Joback Calculated Property
Cp,gas	352.65	J/mol×K	608.94	Joback Calculated Property
Cp,gas	364.09	J/mol×K	640.58	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[336.56; 476.47]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50110e+01
Coefficient B			-3.97703e+03
Coefficient C			-6.64450e+01
Temperature range, min.			336.56
Temperature range, max.			476.47
Pvap	1.33	kPa	336.56	Calculated Property
Pvap	2.97	kPa	352.11	Calculated Property
Pvap	6.09	kPa	367.65	Calculated Property
Pvap	11.65	kPa	383.20	Calculated Property
Pvap	20.96	kPa	398.74	Calculated Property
Pvap	35.79	kPa	414.29	Calculated Property
Pvap	58.37	kPa	429.83	Calculated Property
Pvap	91.44	kPa	445.38	Calculated Property
Pvap	138.29	kPa	460.92	Calculated Property
Pvap	202.67	kPa	476.47	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 1-[(1-methylethyl)thio]-.

Sources

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

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