Chemical Properties of Ethanethioic acid, S-(1-methylethyl) ester (CAS 926-73-8)

InChI

InChI=1S/C5H10OS/c1-4(2)7-5(3)6/h4H,1-3H3

InChI Key

XBSWGFUCFLITEY-UHFFFAOYSA-N

Formula

C5H10OS

SMILES

CC(=O)SC(C)C

Molecular Weight¹

118.20

CAS

926-73-8

Other Names

• Acetic acid, thio-, S-isopropyl ester
• Isopropyl thiolacetate
• S-Isopropyl thioacetate
• Ethanethioic acid S-(isopropyl) ester
• CH3C(O)SCH(CH3)2

• 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).
• 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°	-107.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-222.52	kJ/mol	Joback Calculated Property
ΔfusH°	10.91	kJ/mol	Joback Calculated Property
ΔvapH°	[42.30; 42.30]	kJ/mol
ΔvapH°	42.30 ± 0.20	kJ/mol	NIST
ΔvapH°	42.30 ± 0.20	kJ/mol	NIST
log10WS	-1.69		Crippen Calculated Property
logPoct/wat	1.674		Crippen Calculated Property
McVol	99.230	ml/mol	McGowan Calculated Property
Pc	3857.88	kPa	Joback Calculated Property
Inp	[796.00; 796.00]
Inp	796.00		NIST
Inp	796.00		NIST
Tboil	398.00 ± 2.00	K	NIST
Tc	644.03	K	Joback Calculated Property
Tfus	215.44	K	Joback Calculated Property
Vc	0.369	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.66; 237.31]	J/mol×K	[436.01; 644.03]
Cp,gas	184.66	J/mol×K	436.01	Joback Calculated Property
Cp,gas	194.48	J/mol×K	470.68	Joback Calculated Property
Cp,gas	203.89	J/mol×K	505.35	Joback Calculated Property
Cp,gas	212.87	J/mol×K	540.02	Joback Calculated Property
Cp,gas	221.43	J/mol×K	574.69	Joback Calculated Property
Cp,gas	229.58	J/mol×K	609.36	Joback Calculated Property
Cp,gas	237.31	J/mol×K	644.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanethioic acid, S-(1-methylethyl) ester.

Sources

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

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