Chemical Properties of Ethyl 4-(methylthio)butanoate (CAS 22014-48-8)

InChI

InChI=1S/C7H14O2S/c1-3-9-7(8)5-4-6-10-2/h3-6H2,1-2H3

InChI Key

QNLREUZIHJHXRK-UHFFFAOYSA-N

Formula

C7H14O2S

SMILES

CCOC(=O)CCCSC

Molecular Weight¹

162.25

CAS

22014-48-8

Other Names

• ethyl 4-(methylthio)butyrate

• 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.
• 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°	-192.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-390.74	kJ/mol	Joback Calculated Property
ΔfusH°	20.80	kJ/mol	Joback Calculated Property
ΔvapH°	47.15	kJ/mol	Joback Calculated Property
log10WS	-1.50		Crippen Calculated Property
logPoct/wat	1.693		Crippen Calculated Property
McVol	133.280	ml/mol	McGowan Calculated Property
Pc	2995.87	kPa	Joback Calculated Property
Inp	[1176.00; 1176.00]
Inp	1176.00		NIST
Inp	1176.00		NIST
I	[1652.00; 1652.00]
I	1652.00		NIST
I	1652.00		NIST
Tboil	504.63	K	Joback Calculated Property
Tc	701.40	K	Joback Calculated Property
Tfus	275.21	K	Joback Calculated Property
Vc	0.505	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.52; 351.49]	J/mol×K	[504.63; 701.40]
Cp,gas	287.52	J/mol×K	504.63	Joback Calculated Property
Cp,gas	299.37	J/mol×K	537.42	Joback Calculated Property
Cp,gas	310.75	J/mol×K	570.22	Joback Calculated Property
Cp,gas	321.65	J/mol×K	603.01	Joback Calculated Property
Cp,gas	332.08	J/mol×K	635.81	Joback Calculated Property
Cp,gas	342.03	J/mol×K	668.60	Joback Calculated Property
Cp,gas	351.49	J/mol×K	701.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 4-(methylthio)butanoate.

Sources

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

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