Chemical Properties of 2-octyl-4-ethyl-3-thiazoline

InChI

InChI=1S/C13H25NS/c1-3-5-6-7-8-9-10-13-14-12(4-2)11-15-13/h12H,3-11H2,1-2H3

InChI Key

VVCIEZWCKNCURL-UHFFFAOYSA-N

Formula

C13H25NS

SMILES

CCCCCCCCC1=NC(CC)CS1

Molecular Weight¹

227.41

• 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.
• 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
ΔfG°	272.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-88.63	kJ/mol	Joback Calculated Property
ΔfusH°	32.99	kJ/mol	Joback Calculated Property
ΔvapH°	57.77	kJ/mol	Joback Calculated Property
log10WS	-4.81		Crippen Calculated Property
logPoct/wat	4.661		Crippen Calculated Property
McVol	205.200	ml/mol	McGowan Calculated Property
Pc	1940.65	kPa	Joback Calculated Property
Inp	[1758.00; 1770.00]
Inp	1758.00		NIST
Inp	1770.00		NIST
I	2175.00		NIST
Tboil	617.79	K	Joback Calculated Property
Tc	822.44	K	Joback Calculated Property
Tfus	415.44	K	Joback Calculated Property
Vc	0.785	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[554.87; 658.00]	J/mol×K	[617.79; 822.44]
Cp,gas	554.87	J/mol×K	617.79	Joback Calculated Property
Cp,gas	574.64	J/mol×K	651.90	Joback Calculated Property
Cp,gas	593.35	J/mol×K	686.01	Joback Calculated Property
Cp,gas	611.01	J/mol×K	720.11	Joback Calculated Property
Cp,gas	627.65	J/mol×K	754.22	Joback Calculated Property
Cp,gas	643.31	J/mol×K	788.33	Joback Calculated Property
Cp,gas	658.00	J/mol×K	822.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-octyl-4-ethyl-3-thiazoline.

Sources

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

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