Chemical Properties of Sarcosine, n-(2,3,4-trifluorobenzoyl)-, isohexyl ester

Sarcosine, n-(2,3,4-trifluorobenzoyl)-, isohexyl ester

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InChI
InChI=1S/C16H20F3NO3/c1-10(2)5-4-8-23-13(21)9-20(3)16(22)11-6-7-12(17)15(19)14(11)18/h6-7,10H,4-5,8-9H2,1-3H3
InChI Key
ZHIGJQSJWMSFAF-UHFFFAOYSA-N
Formula
C16H20F3NO3
SMILES
CC(C)CCCOC(=O)CN(C)C(=O)c1ccc(F)c(F)c1F
Molecular Weight1
331.33
Sources

Physical Properties

Property Value Unit Source
Δf -671.57 kJ/mol Joback Calculated Property
Δfgas -1054.91 kJ/mol Joback Calculated Property
Δfus 43.19 kJ/mol Joback Calculated Property
Δvap 70.58 kJ/mol Joback Calculated Property
logPoct/wat 3.155 Crippen Calculated Property
Pc 1615.47 kPa Joback Calculated Property
Tboil 747.07 K Joback Calculated Property
Tc 934.44 K Joback Calculated Property
Tfus 475.39 K Joback Calculated Property
Vc 0.919 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 683.23 J/mol×K 747.07 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-F 3
=CH- (ring) 2
>N- 1
=C< (ring) 4
-CH2- 4
>C=O (nonring) 2
-CH3 3

Similar Compounds

Sarcosine, n-(2,3,4-trifluorobenzoyl)-, pentyl ester. Sarcosine, n-pentafluorobenzoyl-, isohexyl ester. Sarcosine, n-(2,3,4-trifluorobenzoyl)-, heptadecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, hexadecyl ester. Sarcosine, n-(2,3,4-trifluorobenzoyl)-, dodecyl ester. Sarcosine, n-pentafluorobenzoyl-, pentyl ester. Sarcosine, n-pentafluorobenzoyl-, hexyl ester. Sarcosine, n-pentafluorobenzoyl-, undecyl ester. Sarcosine, n-pentafluorobenzoyl-, tetradecyl ester. Sarcosine, n-pentafluorobenzoyl-, hexadecyl ester. Sarcosine, N-pentafluorobenzoyl-, pentadecyl ester. Sarcosine, n-pentafluorobenzoyl-, octadecyl ester. Sarcosine, n-pentafluorobenzoyl-, nonyl ester. Sarcosine, n-pentafluorobenzoyl-, isobutyl ester. 2,3,4-Trifluorobenzoic acid, morpholide.

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