Chemical Properties of allyl thioacetate

InChI

InChI=1S/C5H8OS/c1-3-4-7-5(2)6/h3H,1,4H2,2H3

InChI Key

MIRAUQNBKACECA-UHFFFAOYSA-N

Formula

C5H8OS

SMILES

C=CCSC(C)=O

Molecular Weight¹

116.18

• 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°	-16.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-91.81	kJ/mol	Joback Calculated Property
ΔfusH°	13.15	kJ/mol	Joback Calculated Property
ΔvapH°	39.62	kJ/mol	Joback Calculated Property
log10WS	-1.43		Crippen Calculated Property
logPoct/wat	1.452		Crippen Calculated Property
McVol	94.930	ml/mol	McGowan Calculated Property
Pc	4026.13	kPa	Joback Calculated Property
Inp	[835.00; 835.00]
Inp	835.00		NIST
Inp	835.00		NIST
Tboil	433.13	K	Joback Calculated Property
Tc	640.84	K	Joback Calculated Property
Tfus	228.68	K	Joback Calculated Property
Vc	0.356	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.03; 215.30]	J/mol×K	[433.13; 640.84]
Cp,gas	169.03	J/mol×K	433.13	Joback Calculated Property
Cp,gas	177.75	J/mol×K	467.75	Joback Calculated Property
Cp,gas	186.05	J/mol×K	502.37	Joback Calculated Property
Cp,gas	193.95	J/mol×K	536.98	Joback Calculated Property
Cp,gas	201.46	J/mol×K	571.60	Joback Calculated Property
Cp,gas	208.57	J/mol×K	606.22	Joback Calculated Property
Cp,gas	215.30	J/mol×K	640.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to allyl thioacetate.

Sources

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

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