Chemical Properties of Ethanethioic acid, S-propyl ester (CAS 2307-10-0)

InChI

InChI=1S/C5H10OS/c1-3-4-7-5(2)6/h3-4H2,1-2H3

InChI Key

SBWFWBJCYMBZEY-UHFFFAOYSA-N

Formula

C5H10OS

SMILES

CCCSC(C)=O

Molecular Weight¹

118.20

CAS

2307-10-0

Other Names

• Acetic acid, thio-, S-propyl ester
• Propyl thiolacetate
• S-Propyl thioacetate
• Propyl thioacetate
• S-n-Propyl thioacetate
• S-propyl ethanethioate

• 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°	-104.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-217.24	kJ/mol	Joback Calculated Property
ΔfusH°	14.43	kJ/mol	Joback Calculated Property
ΔvapH°	[44.10; 44.10]	kJ/mol
ΔvapH°	44.10 ± 0.20	kJ/mol	NIST
ΔvapH°	44.10 ± 0.20	kJ/mol	NIST
log10WS	-1.57		Crippen Calculated Property
logPoct/wat	1.676		Crippen Calculated Property
McVol	99.230	ml/mol	McGowan Calculated Property
Pc	3819.82	kPa	Joback Calculated Property
Inp	[848.00; 877.00]
Inp	851.00		NIST
Inp	851.00		NIST
Inp	877.00		NIST
Inp	848.00		NIST
I	[1160.00; 1200.00]
I	1200.00		NIST
I	1160.00		NIST
Tboil	[409.20; 411.40]	K
Tboil	409.20	K	NIST
Tboil	411.40 ± 3.00	K	NIST
Tc	639.57	K	Joback Calculated Property
Tfus	230.44	K	Joback Calculated Property
Vc	0.376	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.53; 235.68]	J/mol×K	[436.45; 639.57]
Cp,gas	184.53	J/mol×K	436.45	Joback Calculated Property
Cp,gas	194.04	J/mol×K	470.30	Joback Calculated Property
Cp,gas	203.15	J/mol×K	504.16	Joback Calculated Property
Cp,gas	211.86	J/mol×K	538.01	Joback Calculated Property
Cp,gas	220.19	J/mol×K	571.86	Joback Calculated Property
Cp,gas	228.12	J/mol×K	605.72	Joback Calculated Property
Cp,gas	235.68	J/mol×K	639.57	Joback Calculated Property

Similar Compounds

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

Sources

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

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