Chemical Properties of 2-acetyl-2-methylthiazolidine

InChI

InChI=1S/C6H11NOS/c1-5(8)6(2)7-3-4-9-6/h7H,3-4H2,1-2H3

InChI Key

WLXIBDDBHZVOIL-UHFFFAOYSA-N

Formula

C6H11NOS

SMILES

CC(=O)C1(C)NCCS1

Molecular Weight¹

145.22

• 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	0.3405		Relay (1.0) Calculated Property
ΔfG°	29.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-147.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.78	kJ/mol	Joback Calculated Property
ΔvapH°	59.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-1.01		Relay (1.0) Calculated Property
logPoct/wat	0.628		Crippen Calculated Property
McVol	112.440	ml/mol	McGowan Calculated Property
Pc	4522.49	kPa	Joback Calculated Property
Inp	[1134.00; 1155.00]
Inp	1134.00		NIST
Inp	1155.00		NIST
Inp	1134.00		NIST
Inp	1155.00		NIST
I	[1789.00; 1789.00]
I	1789.00		NIST
I	1789.00		NIST
I	1789.00		NIST
Tboil	484.48	K	Relay (1.0) Calculated Property
Tc	711.78	K	Relay (1.0) Calculated Property
Tfus	377.02	K	Relay (1.0) Calculated Property
Vc	0.377	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.19; 306.13]	J/mol×K	[502.45; 744.89]
Cp,gas	239.19	J/mol×K	502.45	Joback Calculated Property
Cp,gas	252.38	J/mol×K	542.86	Joback Calculated Property
Cp,gas	264.57	J/mol×K	583.26	Joback Calculated Property
Cp,gas	275.89	J/mol×K	623.67	Joback Calculated Property
Cp,gas	286.50	J/mol×K	664.08	Joback Calculated Property
Cp,gas	296.53	J/mol×K	704.49	Joback Calculated Property
Cp,gas	306.13	J/mol×K	744.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-acetyl-2-methylthiazolidine.

Sources

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

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