Chemical Properties of D-Alanine, N-(2,4-difluorobenzoyl)-, isohexyl ester

D-Alanine, N-(2,4-difluorobenzoyl)-, isohexyl ester

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InChI
InChI=1S/C16H21F2NO3/c1-10(2)5-4-8-22-16(21)11(3)19-15(20)13-7-6-12(17)9-14(13)18/h6-7,9-11H,4-5,8H2,1-3H3,(H,19,20)
InChI Key
ZTBBDPZZNOWUJD-UHFFFAOYSA-N
Formula
C16H21F2NO3
SMILES
CC(C)CCCOC(=O)C(C)NC(=O)c1ccc(F)cc1F
Molecular Weight1
313.34
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Physical Properties

Property Value Unit Source
Δf -490.96 kJ/mol Joback Calculated Property
Δfgas -866.67 kJ/mol Joback Calculated Property
Δfus 39.06 kJ/mol Joback Calculated Property
Δvap 74.74 kJ/mol Joback Calculated Property
log10WS -4.56 Crippen Calculated Property
logPoct/wat 3.062 Crippen Calculated Property
McVol 235.070 ml/mol McGowan Calculated Property
Pc 1728.90 kPa Joback Calculated Property
Inp [2029.00; 2029.00]   Show Hide
Inp 2029.00 NIST
Inp 2029.00 NIST
Tboil 780.11 K Joback Calculated Property
Tc 978.11 K Joback Calculated Property
Tfus 467.47 K Joback Calculated Property
Vc 0.912 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [692.37; 762.94] J/mol×K [780.11; 978.11] Show Hide
Cp,gas 692.37 J/mol×K 780.11 Joback Calculated Property
Cp,gas 706.41 J/mol×K 813.11 Joback Calculated Property
Cp,gas 719.51 J/mol×K 846.11 Joback Calculated Property
Cp,gas 731.70 J/mol×K 879.11 Joback Calculated Property
Cp,gas 742.98 J/mol×K 912.11 Joback Calculated Property
Cp,gas 753.39 J/mol×K 945.11 Joback Calculated Property
Cp,gas 762.94 J/mol×K 978.11 Joback Calculated Property

Similar Compounds

D-Alanine, N-(2,4-difluorobenzoyl)-, pentyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, nonadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, octadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, eicosyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, hexadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, butyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, isohexyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, isohexyl ester. D-Alanine, N-(3-fluoro-4-trifluoromethylbenzoyl)-, isohexyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, pentyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, pentyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, tetradecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, octyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, eicosyl ester.

Find more compounds similar to D-Alanine, N-(2,4-difluorobenzoyl)-, isohexyl ester.

Sources

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