Chemical Properties of Ethanethioic acid, S-pentyl ester (CAS 2432-32-8)

InChI

InChI=1S/C7H14OS/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3

InChI Key

OJWBVDJRMVMXHE-UHFFFAOYSA-N

Formula

C7H14OS

SMILES

CCCCCSC(C)=O

Molecular Weight¹

146.25

CAS

2432-32-8

Other Names

• Acetic acid, thio-, S-pentyl ester
• Pentyl thiolacetate

• 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	0.4150		Relay (1.0) Calculated Property
ΔfG°	-87.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-292.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.61	kJ/mol	Joback Calculated Property
ΔvapH°	50.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-2.37		Relay (1.0) Calculated Property
logPoct/wat	2.456		Crippen Calculated Property
McVol	127.410	ml/mol	McGowan Calculated Property
Pc	3052.41	kPa	Joback Calculated Property
Inp	[1048.00; 1048.00]
Inp	1048.00		NIST
Inp	1048.00		NIST
Inp	1048.00		NIST
Tboil	448.30	K	Relay (1.0) Calculated Property
Tc	636.07	K	Relay (1.0) Calculated Property
Tfus	235.76	K	Relay (1.0) Calculated Property
Vc	0.456	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[264.46; 328.87]	J/mol×K	[482.21; 680.42]
Cp,gas	264.46	J/mol×K	482.21	Joback Calculated Property
Cp,gas	276.49	J/mol×K	515.24	Joback Calculated Property
Cp,gas	288.00	J/mol×K	548.28	Joback Calculated Property
Cp,gas	298.98	J/mol×K	581.31	Joback Calculated Property
Cp,gas	309.45	J/mol×K	614.35	Joback Calculated Property
Cp,gas	319.41	J/mol×K	647.38	Joback Calculated Property
Cp,gas	328.87	J/mol×K	680.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanethioic acid, S-pentyl ester.

Sources

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

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