Chemical Properties of DL-Phenylalanine, N-chlorodifluoroacetyl-, ethyl ester

DL-Phenylalanine, N-chlorodifluoroacetyl-, ethyl ester

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InChI
InChI=1S/C13H14ClF2NO3/c1-2-20-11(18)10(17-12(19)13(14,15)16)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,17,19)
InChI Key
GBLBQWFRENCJNP-UHFFFAOYSA-N
Formula
C13H14ClF2NO3
SMILES
CCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)Cl
Molecular Weight1
305.70
Sources

Physical Properties

Property Value Unit Source
Δf -503.61 kJ/mol Joback Calculated Property
Δfgas -801.02 kJ/mol Joback Calculated Property
Δfus 32.37 kJ/mol Joback Calculated Property
Δvap 70.21 kJ/mol Joback Calculated Property
logPoct/wat 2.11 Crippen Calculated Property
Pc 2239.76 kPa Joback Calculated Property
Tboil 736.15 K Joback Calculated Property
Tc 946.31 K Joback Calculated Property
Tfus 455.96 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 558.88 J/mol×K 736.15 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-Cl 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 2
-F 2
>C< 1
>NH 1
>C=O (nonring) 2
-CH3 1

Similar Compounds

p-Fluoro-L-phenylalanine, N-chlorodifluoroacetyl-, ethyl ester. Tyrosine, n-acetyl-l-, ethyl ester hydrate. L-phenylalanine, n-pentafluoropropionyl-, ethyl ester. tyrosine, trifluoroacetyl-isopropyl ester. L-phenylalanine, n-pentafluoropropionyl-, isobutyl ester. L-phenylalanine, n-pentafluoropropionyl-, octyl ester. L-phenylalanine, n-pentafluoropropionyl-, decyl ester. L-phenylalanine, n-pentafluoropropionyl-, octadecyl ester. L-phenylalanine, n-pentafluoropropionyl-, pentadecyl ester. L-phenylalanine, n-pentafluoropropionyl-, hexadecyl ester. L-phenylalanine, n-pentafluoropropionyl-, heptadecyl ester. L-phenylalanine, n-pentafluoropropionyl-, undecyl ester. L-phenylalanine, n-pentafluoropropionyl-, dodecyl ester. L-phenylalanine, n-pentafluoropropionyl-, tetradecyl ester. L-phenylalanine, n-pentafluoropropionyl-, isohexyl ester.

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