Chemical Properties of S-Ethyl ethanethioate (CAS 625-60-5)

InChI

InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3

InChI Key

APTGPWJUOYMUCE-UHFFFAOYSA-N

Formula

C4H8OS

SMILES

CCSC(C)=O

Molecular Weight¹

104.17

CAS

625-60-5

Other Names

• Acetic acid, thio-, S-ethyl ester
• Ethyl thiolacetate
• S-Ethyl thioacetate
• S-Ethyl thiolacetate
• Ethanethioic acid, S-ethyl ester
• CH3COSC2H5
• Ethyl thioacetate

• 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).
• 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).
• ρ_c : Critical density (kg/m³).
• 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
ΔfG°	-113.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-227.80 ± 0.92	kJ/mol	NIST
ΔfH°liquid	-267.80 ± 0.88	kJ/mol	NIST
ΔfusH°	11.84	kJ/mol	Joback Calculated Property
ΔvapH°	[40.00; 40.00]	kJ/mol
ΔvapH°	40.00 ± 0.20	kJ/mol	NIST
ΔvapH°	40.00 ± 0.20	kJ/mol	NIST
ΔvapH°	40.00 ± 0.20	kJ/mol	NIST
IE	[9.20; 9.44]	eV
IE	9.20	eV	NIST
IE	9.40	eV	NIST
IE	9.44	eV	NIST
log10WS	-1.16		Crippen Calculated Property
logPoct/wat	1.286		Crippen Calculated Property
McVol	85.140	ml/mol	McGowan Calculated Property
Pc	4075.00 ± 80.00	kPa	NIST
ρc	327.10 ± 10.00	kg/m3	NIST
Inp	[749.00; 767.00]
Inp	754.00		NIST
Inp	754.00		NIST
Inp	756.00		NIST
Inp	767.00		NIST
Inp	749.00		NIST
I	[1080.00; 1109.00]
I	1092.00		NIST
I	1080.00		NIST
I	1109.00		NIST
Tboil	[386.90; 389.60]	K
Tboil	389.60	K	NIST
Tboil	386.90 ± 2.00	K	NIST
Tc	590.55 ± 0.20	K	NIST
Tfus	219.17	K	Joback Calculated Property
Vc	0.320	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[147.97; 191.25]	J/mol×K	[413.57; 618.94]
Cp,gas	147.97	J/mol×K	413.57	Joback Calculated Property
Cp,gas	155.97	J/mol×K	447.80	Joback Calculated Property
Cp,gas	163.66	J/mol×K	482.03	Joback Calculated Property
Cp,gas	171.03	J/mol×K	516.25	Joback Calculated Property
Cp,gas	178.09	J/mol×K	550.48	Joback Calculated Property
Cp,gas	184.83	J/mol×K	584.71	Joback Calculated Property
Cp,gas	191.25	J/mol×K	618.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to S-Ethyl ethanethioate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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