Chemical Properties of «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, isohexyl ester

«beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, isohexyl ester

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InChI
InChI=1S/C16H20F3NO3/c1-10(2)4-3-9-23-13(21)7-8-20-16(22)11-5-6-12(17)15(19)14(11)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,22)
InChI Key
YXHSSAQMISUBOH-UHFFFAOYSA-N
Formula
C16H20F3NO3
SMILES
CC(C)CCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
331.33
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Physical Properties

Property Value Unit Source
Δf -692.96 kJ/mol Joback Calculated Property
Δfgas -1068.97 kJ/mol Joback Calculated Property
Δfus 45.27 kJ/mol Joback Calculated Property
Δvap 74.97 kJ/mol Joback Calculated Property
log10WS -4.78 Crippen Calculated Property
logPoct/wat 3.203 Crippen Calculated Property
McVol 236.840 ml/mol McGowan Calculated Property
Pc 1635.13 kPa Joback Calculated Property
Inp [2108.00; 2108.00]   Show Hide
Inp 2108.00 NIST
Inp 2108.00 NIST
Tboil 784.80 K Joback Calculated Property
Tc 976.41 K Joback Calculated Property
Tfus 495.58 K Joback Calculated Property
Vc 0.936 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [698.49; 766.02] J/mol×K [784.80; 976.41] Show Hide
Cp,gas 698.49 J/mol×K 784.80 Joback Calculated Property
Cp,gas 711.85 J/mol×K 816.73 Joback Calculated Property
Cp,gas 724.34 J/mol×K 848.67 Joback Calculated Property
Cp,gas 735.99 J/mol×K 880.60 Joback Calculated Property
Cp,gas 746.81 J/mol×K 912.54 Joback Calculated Property
Cp,gas 756.81 J/mol×K 944.47 Joback Calculated Property
Cp,gas 766.02 J/mol×K 976.41 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, isohexyl ester.

Sources

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