Chemical Properties of Ethanethioic acid, S-butyl ester (CAS 928-47-2)

InChI

InChI=1S/C6H12OS/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3

InChI Key

XBHDWERUSGIZNS-UHFFFAOYSA-N

Formula

C6H12OS

SMILES

CCCCSC(C)=O

Molecular Weight¹

132.22

CAS

928-47-2

Other Names

• Acetic acid, thio-, S-butyl ester
• S-Butyl thioacetate
• CH3C(O)S(CH2)3CH3
• S-n-Butylthioacetate
• Butyl thioacetate
• Butyl thiolacetate

• 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°	-96.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-237.88	kJ/mol	Joback Calculated Property
ΔfusH°	17.03	kJ/mol	Joback Calculated Property
ΔvapH°	[48.10; 48.10]	kJ/mol
ΔvapH°	48.10 ± 0.20	kJ/mol	NIST
ΔvapH°	48.10 ± 0.20	kJ/mol	NIST
log10WS	-1.99		Crippen Calculated Property
logPoct/wat	2.066		Crippen Calculated Property
McVol	113.320	ml/mol	McGowan Calculated Property
Pc	3403.91	kPa	Joback Calculated Property
Inp	[950.00; 951.00]
Inp	950.00		NIST
Inp	950.00		NIST
Inp	951.00		NIST
Inp	951.00		NIST
Tboil	459.33	K	Joback Calculated Property
Tc	660.04	K	Joback Calculated Property
Tfus	241.71	K	Joback Calculated Property
Vc	0.431	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.40; 281.57]	J/mol×K	[459.33; 660.04]
Cp,gas	223.40	J/mol×K	459.33	Joback Calculated Property
Cp,gas	234.25	J/mol×K	492.78	Joback Calculated Property
Cp,gas	244.63	J/mol×K	526.23	Joback Calculated Property
Cp,gas	254.54	J/mol×K	559.69	Joback Calculated Property
Cp,gas	264.00	J/mol×K	593.14	Joback Calculated Property
Cp,gas	273.01	J/mol×K	626.59	Joback Calculated Property
Cp,gas	281.57	J/mol×K	660.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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