Chemical Properties of 2-Pentanethiol, 2-methyl- (CAS 1633-97-2)

InChI

InChI=1S/C6H14S/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3

InChI Key

ISUXQQTXICTKOV-UHFFFAOYSA-N

Formula

C6H14S

SMILES

CCCC(C)(C)S

Molecular Weight¹

118.24

CAS

1633-97-2

Other Names

• 2-Methyl-2-pentanethiol
• 2-methylpentane-2-thiol

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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
ΔcH°liquid	-4775.62 ± 0.84	kJ/mol	NIST
ΔfG°	31.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-148.00 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-187.90 ± 0.96	kJ/mol	NIST
ΔfusH°	7.92	kJ/mol	Joback Calculated Property
ΔvapH°	[39.90; 40.00]	kJ/mol
ΔvapH°	40.00 ± 0.20	kJ/mol	NIST
ΔvapH°	39.90	kJ/mol	NIST
ΔvapH°	40.00 ± 0.10	kJ/mol	NIST
log10WS	-2.52		Crippen Calculated Property
logPoct/wat	2.495		Crippen Calculated Property
McVol	111.750	ml/mol	McGowan Calculated Property
Pc	3415.86	kPa	Joback Calculated Property
Inp	930.00		NIST
Tboil	396.31	K	Joback Calculated Property
Tc	598.05	K	Joback Calculated Property
Tfus	196.26	K	Joback Calculated Property
Vc	0.414	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.50; 274.38]	J/mol×K	[396.31; 598.05]
Cp,gas	206.50	J/mol×K	396.31	Joback Calculated Property
Cp,gas	219.51	J/mol×K	429.93	Joback Calculated Property
Cp,gas	231.80	J/mol×K	463.56	Joback Calculated Property
Cp,gas	243.40	J/mol×K	497.18	Joback Calculated Property
Cp,gas	254.34	J/mol×K	530.80	Joback Calculated Property
Cp,gas	264.66	J/mol×K	564.43	Joback Calculated Property
Cp,gas	274.38	J/mol×K	598.05	Joback Calculated Property
ΔvapH	38.00	kJ/mol	383.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[315.45; 450.48]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49054e+01
Coefficient B			-3.76948e+03
Coefficient C			-5.75790e+01
Temperature range, min.			315.45
Temperature range, max.			450.48
Pvap	1.33	kPa	315.45	Calculated Property
Pvap	2.98	kPa	330.45	Calculated Property
Pvap	6.12	kPa	345.46	Calculated Property
Pvap	11.70	kPa	360.46	Calculated Property
Pvap	21.06	kPa	375.46	Calculated Property
Pvap	35.94	kPa	390.47	Calculated Property
Pvap	58.57	kPa	405.47	Calculated Property
Pvap	91.67	kPa	420.47	Calculated Property
Pvap	138.45	kPa	435.48	Calculated Property
Pvap	202.64	kPa	450.48	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentanethiol, 2-methyl-.

Sources

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

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