Chemical Properties of Propanethioic acid, S-(1-methylethyl) ester (CAS 2432-47-5)

InChI

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

InChI Key

LDEJXFDTQBEVOR-UHFFFAOYSA-N

Formula

C6H12OS

SMILES

CCC(=O)SC(C)C

Molecular Weight¹

132.22

CAS

2432-47-5

Other Names

• Propionic acid, thio-, S-isopropyl ester

• 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°	-98.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-243.16	kJ/mol	Joback Calculated Property
ΔfusH°	13.50	kJ/mol	Joback Calculated Property
ΔvapH°	42.12	kJ/mol	Joback Calculated Property
log10WS	-2.10		Crippen Calculated Property
logPoct/wat	2.065		Crippen Calculated Property
McVol	113.320	ml/mol	McGowan Calculated Property
Pc	3435.91	kPa	Joback Calculated Property
Inp	[889.00; 889.00]
Inp	889.00		NIST
Inp	889.00		NIST
Inp	889.00		NIST
Tboil	458.89	K	Joback Calculated Property
Tc	664.31	K	Joback Calculated Property
Tfus	226.71	K	Joback Calculated Property
Vc	0.425	m3/kmol	Joback 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 Propanethioic acid, S-(1-methylethyl) ester.

Sources

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

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