Chemical Properties of 2-mercapto-3-pentanone

InChI

InChI=1S/C5H10OS/c1-3-5(6)4(2)7/h4,7H,3H2,1-2H3

InChI Key

TWOGJUHCCNLYPC-UHFFFAOYSA-N

Formula

C5H10OS

SMILES

CCC(=O)C(C)S

Molecular Weight¹

118.20

Other Names

• 3-Pentanone, 2-mercapto

• 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).
• 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
ω	0.3598		Relay (1.0) Calculated Property
ΔfG°	-110.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-253.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.82	kJ/mol	Joback Calculated Property
ΔvapH°	43.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-0.46		Relay (1.0) Calculated Property
logPoct/wat	1.284		Crippen Calculated Property
McVol	99.230	ml/mol	McGowan Calculated Property
Pc	4093.38	kPa	Joback Calculated Property
Inp	[870.00; 921.00]
Inp	921.00		NIST
Inp	908.00		NIST
Inp	910.00		NIST
Inp	904.00		NIST
Inp	874.00		NIST
Inp	883.00		NIST
Inp	870.00		NIST
Inp	909.00		NIST
Inp	870.00		NIST
Inp	921.00		NIST
Tboil	416.51	K	Relay (1.0) Calculated Property
Tc	623.42	K	Relay (1.0) Calculated Property
Tfus	248.98	K	Relay (1.0) Calculated Property
Vc	0.345	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.43; 235.44]	J/mol×K	[430.09; 638.12]
Cp,gas	183.43	J/mol×K	430.09	Joback Calculated Property
Cp,gas	193.22	J/mol×K	464.76	Joback Calculated Property
Cp,gas	202.55	J/mol×K	499.43	Joback Calculated Property
Cp,gas	211.43	J/mol×K	534.10	Joback Calculated Property
Cp,gas	219.86	J/mol×K	568.78	Joback Calculated Property
Cp,gas	227.86	J/mol×K	603.45	Joback Calculated Property
Cp,gas	235.44	J/mol×K	638.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-mercapto-3-pentanone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.