Chemical Properties of 5-ethyl-2-isobutyl-4-methyl-3-thiazoline, trans

InChI

InChI=1S/C10H19NS/c1-5-9-8(4)11-10(12-9)6-7(2)3/h7,9-10H,5-6H2,1-4H3/t9-,10-/m0/s1

InChI Key

KQXISUWXTVZWDG-UWVGGRQHSA-N

Formula

C10H19NS

SMILES

CCC1SC(CC(C)C)N=C1C

Molecular Weight¹

185.33

• 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°	236.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-52.33	kJ/mol	Joback Calculated Property
ΔfusH°	22.77	kJ/mol	Joback Calculated Property
ΔvapH°	50.39	kJ/mol	Joback Calculated Property
log10WS	-3.43		Crippen Calculated Property
logPoct/wat	3.345		Crippen Calculated Property
McVol	162.930	ml/mol	McGowan Calculated Property
Pc	2482.59	kPa	Joback Calculated Property
Inp	[1342.00; 1349.00]
Inp	1349.00		NIST
Inp	1342.00		NIST
Inp	1349.00		NIST
I	[1687.00; 1687.00]
I	1687.00		NIST
I	1687.00		NIST
Tboil	544.04	K	Joback Calculated Property
Tc	763.45	K	Joback Calculated Property
Tfus	362.39	K	Joback Calculated Property
Vc	0.611	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[402.48; 502.58]	J/mol×K	[544.04; 763.45]
Cp,gas	402.48	J/mol×K	544.04	Joback Calculated Property
Cp,gas	421.65	J/mol×K	580.61	Joback Calculated Property
Cp,gas	439.81	J/mol×K	617.18	Joback Calculated Property
Cp,gas	456.98	J/mol×K	653.75	Joback Calculated Property
Cp,gas	473.15	J/mol×K	690.31	Joback Calculated Property
Cp,gas	488.34	J/mol×K	726.88	Joback Calculated Property
Cp,gas	502.58	J/mol×K	763.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-ethyl-2-isobutyl-4-methyl-3-thiazoline, trans.

Sources

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

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