Chemical Properties of 2-acetylthietane

InChI

InChI=1S/C5H8OS/c1-4(6)5-2-3-7-5/h5H,2-3H2,1H3

InChI Key

LHLNSXFHEGETML-UHFFFAOYSA-N

Formula

C5H8OS

SMILES

CC(=O)C1CCS1

Molecular Weight¹

116.18

• 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.
• I : 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	0.3065		Relay (1.0) Calculated Property
ΔfG°	-49.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-154.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.00	kJ/mol	Joback Calculated Property
ΔvapH°	51.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-0.01		Relay (1.0) Calculated Property
logPoct/wat	1.081		Crippen Calculated Property
McVol	88.370	ml/mol	McGowan Calculated Property
Pc	4528.58	kPa	Joback Calculated Property
Inp	972.00		NIST
I	[1549.00; 1549.00]
I	1549.00		NIST
I	1549.00		NIST
Tboil	454.31	K	Relay (1.0) Calculated Property
Tc	686.86	K	Relay (1.0) Calculated Property
Tfus	233.23	K	Relay (1.0) Calculated Property
Vc	0.297	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.20; 219.63]	J/mol×K	[426.51; 646.47]
Cp,gas	163.20	J/mol×K	426.51	Joback Calculated Property
Cp,gas	174.23	J/mol×K	463.17	Joback Calculated Property
Cp,gas	184.56	J/mol×K	499.83	Joback Calculated Property
Cp,gas	194.23	J/mol×K	536.49	Joback Calculated Property
Cp,gas	203.28	J/mol×K	573.15	Joback Calculated Property
Cp,gas	211.74	J/mol×K	609.81	Joback Calculated Property
Cp,gas	219.63	J/mol×K	646.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-acetylthietane.

Sources

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

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