Chemical Properties of Ethanethioic acid, S-(2-methylpropyl) ester (CAS 2432-37-3)

InChI

InChI=1S/C6H12OS/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

InChI Key

CKZPJEYIMQJCNA-UHFFFAOYSA-N

Formula

C6H12OS

SMILES

CC(=O)SCC(C)C

Molecular Weight¹

132.22

CAS

2432-37-3

Other Names

• Acetic acid, thio-, S-isobutyl ester
• S-Isobutyl thioacetate
• CH3C(O)SCH2CH(CH3)2

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.3442		Relay (1.0) Calculated Property
ΔfG°	-98.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-276.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.50	kJ/mol	Joback Calculated Property
ΔvapH°	45.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-1.81		Relay (1.0) Calculated Property
logPoct/wat	1.922		Crippen Calculated Property
McVol	113.320	ml/mol	McGowan Calculated Property
Pc	3435.91	kPa	Joback Calculated Property
Inp	[908.00; 908.00]
Inp	908.00		NIST
Inp	908.00		NIST
Inp	908.00		NIST
Tboil	416.54	K	Relay (1.0) Calculated Property
Tc	604.26	K	Relay (1.0) Calculated Property
Tfus	214.04	K	Relay (1.0) Calculated Property
Vc	0.393	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.57; 283.32]	J/mol×K	[458.89; 664.31]
Cp,gas	223.57	J/mol×K	458.89	Joback Calculated Property
Cp,gas	234.76	J/mol×K	493.13	Joback Calculated Property
Cp,gas	245.45	J/mol×K	527.36	Joback Calculated Property
Cp,gas	255.64	J/mol×K	561.60	Joback Calculated Property
Cp,gas	265.35	J/mol×K	595.83	Joback Calculated Property
Cp,gas	274.58	J/mol×K	630.07	Joback Calculated Property
Cp,gas	283.32	J/mol×K	664.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanethioic acid, S-(2-methylpropyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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