Chemical Properties of Methyl allylthioacetate (CAS 72867-23-3)

InChI

InChI=1S/C6H10O2S/c1-3-4-9-5-6(7)8-2/h3H,1,4-5H2,2H3

InChI Key

XUIRWMWZYBMPQC-UHFFFAOYSA-N

Formula

C6H10O2S

SMILES

C=CCSCC(=O)OC

Molecular Weight¹

146.21

CAS

72867-23-3

• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	-113.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-244.67	kJ/mol	Joback Calculated Property
ΔfusH°	16.93	kJ/mol	Joback Calculated Property
ΔvapH°	44.25	kJ/mol	Joback Calculated Property
log10WS	-0.93		Crippen Calculated Property
logPoct/wat	1.079		Crippen Calculated Property
McVol	114.890	ml/mol	McGowan Calculated Property
Pc	3505.43	kPa	Joback Calculated Property
I	[1518.00; 1518.00]
I	1518.00		NIST
I	1518.00		NIST
Tboil	478.43	K	Joback Calculated Property
Tc	682.10	K	Joback Calculated Property
Tfus	262.18	K	Joback Calculated Property
Vc	0.430	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.42; 281.84]	J/mol×K	[478.43; 682.10]
Cp,gas	228.42	J/mol×K	478.43	Joback Calculated Property
Cp,gas	238.35	J/mol×K	512.37	Joback Calculated Property
Cp,gas	247.88	J/mol×K	546.32	Joback Calculated Property
Cp,gas	256.99	J/mol×K	580.26	Joback Calculated Property
Cp,gas	265.69	J/mol×K	614.21	Joback Calculated Property
Cp,gas	273.98	J/mol×K	648.15	Joback Calculated Property
Cp,gas	281.84	J/mol×K	682.10	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Methyl allylthioacetate.

Sources

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

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