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

4-ethyl-2-hexyl-5-methyl-3-thiazoline, trans

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InChI
InChI=1S/C12H23NS/c1-4-6-7-8-9-12-13-11(5-2)10(3)14-12/h10,12H,4-9H2,1-3H3/t10-,12-/m0/s1
InChI Key
YNMIAYYDICMIHA-JQWIXIFHSA-N
Formula
C12H23NS
SMILES
CCCCCCC1N=C(CC)C(C)S1
Molecular Weight1
213.38
Sources

Physical Properties

Property Value Unit Source
Δf 255.97 kJ/mol Joback Calculated Property
Δfgas -88.33 kJ/mol Joback Calculated Property
Δfus 31.47 kJ/mol Joback Calculated Property
Δvap 55.23 kJ/mol Joback Calculated Property
logPoct/wat 4.27 Crippen Calculated Property
Pc 2053.03 kPa Joback Calculated Property
Tboil 590.24 K Joback Calculated Property
Tc 797.96 K Joback Calculated Property
Tfus 399.93 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 503.26 J/mol×K 590.24 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-S- (ring) 1
=C< (ring) 1
-CH2- 6
-N= (ring) 1
-CH3 3
>CH- (ring) 2

Similar Compounds

4-ethyl-2-hexyl-5-methyl-3-thiazoline, cis. 4-ethyl-5-methyl-2-nonyl-3-thiazoline, cis. 2-heptyl-4-ethyl-5-methyl-3-thiazoline, cis. 2-octyl-4-ethyl-5-methyl-3-thiazoline. 4-ethyl-5-methyl-2-nonyl-3-thiazoline, trans. 4-ethyl-2-heptyl-5-methyl-3-thiazoline, trans. 4-ethyl-5-methyl-2-octyl-3-thiazoline, trans. 4-ethyl-5-methyl-2-octyl-3-thiazoline, cis. 2-nonyl-4-ethyl-5-methyl-3-thiazoline, cis. 4-ethyl-5-methyl-2-pentyl-3-thiazoline, trans. 2-pentyl-4-ethyl-5-methyl-3-thiazoline, cis. 2-butyl-4-ethyl-5-methyl-3-thiazoline, cis. 2-butyl-4-ethyl-5-methyl-3-thiazoline, trans. 2-hexyl-4,5-dimethyl-3-thiazoline. 4,5-dimethyl-2-hexyl-3-thiazoline, cis.

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