Chemical Properties of «beta»-Alanine, N-(2,6-difluorobenzoyl)-, isohexyl ester

«beta»-Alanine, N-(2,6-difluorobenzoyl)-, isohexyl ester

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InChI
InChI=1S/C16H21F2NO3/c1-11(2)5-4-10-22-14(20)8-9-19-16(21)15-12(17)6-3-7-13(15)18/h3,6-7,11H,4-5,8-10H2,1-2H3,(H,19,21)
InChI Key
RQCUCCOQPPFQNQ-UHFFFAOYSA-N
Formula
C16H21F2NO3
SMILES
CC(C)CCCOC(=O)CCNC(=O)c1c(F)cccc1F
Molecular Weight1
313.34
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Physical Properties

Property Value Unit Source
Δf -488.52 kJ/mol Joback Calculated Property
Δfgas -861.39 kJ/mol Joback Calculated Property
Δfus 42.58 kJ/mol Joback Calculated Property
Δvap 75.13 kJ/mol Joback Calculated Property
log10WS -4.45 Crippen Calculated Property
logPoct/wat 3.064 Crippen Calculated Property
McVol 235.070 ml/mol McGowan Calculated Property
Pc 1717.45 kPa Joback Calculated Property
Inp [2222.00; 2222.00]   Show Hide
Inp 2222.00 NIST
Inp 2222.00 NIST
Tboil 780.55 K Joback Calculated Property
Tc 976.25 K Joback Calculated Property
Tfus 482.47 K Joback Calculated Property
Vc 0.918 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [691.81; 761.85] J/mol×K [780.55; 976.25] Show Hide
Cp,gas 691.81 J/mol×K 780.55 Joback Calculated Property
Cp,gas 705.69 J/mol×K 813.17 Joback Calculated Property
Cp,gas 718.66 J/mol×K 845.78 Joback Calculated Property
Cp,gas 730.73 J/mol×K 878.40 Joback Calculated Property
Cp,gas 741.94 J/mol×K 911.02 Joback Calculated Property
Cp,gas 752.31 J/mol×K 943.63 Joback Calculated Property
Cp,gas 761.85 J/mol×K 976.25 Joback Calculated Property

Similar Compounds

«beta»-Alanine, N-(2,6-difluorobenzoyl)-, pentyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, hexyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, decyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, nonyl ester. «beta»- Alanine, N-(2,6-difluorobenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, dodecyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, heptyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, octyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, isohexyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, butyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, decyl ester.

Find more compounds similar to «beta»-Alanine, N-(2,6-difluorobenzoyl)-, isohexyl ester.

Sources

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