Chemical Properties of 2-Acetyl-4,5-dimethyl-2-thiazoline

InChI

InChI=1S/C7H11NOS/c1-4-6(3)10-7(8-4)5(2)9/h4,6H,1-3H3

InChI Key

XEZCYQPGGHNXSV-UHFFFAOYSA-N

Formula

C7H11NOS

SMILES

CC(=O)C1=NC(C)C(C)S1

Molecular Weight¹

157.23

• 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°	84.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-97.71	kJ/mol	Joback Calculated Property
ΔfusH°	20.12	kJ/mol	Joback Calculated Property
ΔvapH°	50.85	kJ/mol	Joback Calculated Property
log10WS	-1.69		Crippen Calculated Property
logPoct/wat	1.498		Crippen Calculated Property
McVol	122.230	ml/mol	McGowan Calculated Property
Pc	3611.55	kPa	Joback Calculated Property
Inp	[1170.00; 1170.00]
Inp	1170.00		NIST
Inp	1170.00		NIST
Tboil	529.71	K	Joback Calculated Property
Tc	765.34	K	Joback Calculated Property
Tfus	393.51	K	Joback Calculated Property
Vc	0.455	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[282.88; 359.56]	J/mol×K	[529.71; 765.34]
Cp,gas	282.88	J/mol×K	529.71	Joback Calculated Property
Cp,gas	297.75	J/mol×K	568.98	Joback Calculated Property
Cp,gas	311.79	J/mol×K	608.25	Joback Calculated Property
Cp,gas	324.98	J/mol×K	647.52	Joback Calculated Property
Cp,gas	337.35	J/mol×K	686.79	Joback Calculated Property
Cp,gas	348.87	J/mol×K	726.07	Joback Calculated Property
Cp,gas	359.56	J/mol×K	765.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Acetyl-4,5-dimethyl-2-thiazoline.

Sources

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

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