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

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

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
ΔfusH° 44.16 kJ/mol Joback Calculated Property
logPoct/wat 3.064 Crippen Calculated Property
McVol 235.070 ml/mol McGowan Calculated Property
Inp [2222.00; 2222.00]   Show Hide
Inp 2222.00 NIST
Inp 2222.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [342.28; 768.88] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.50950e+01
Coefficient B1.34884e+00
Coefficient C-7.15020e-04
Coefficient D1.09960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 342.28 J/mol×K 273.00 Calculated Property
Cp,gas 417.66 J/mol×K 353.78 Calculated Property
Cp,gas 485.24 J/mol×K 434.56 Calculated Property
Cp,gas 545.36 J/mol×K 515.33 Calculated Property
Cp,gas 598.36 J/mol×K 596.11 Calculated Property
Cp,gas 644.61 J/mol×K 676.89 Calculated Property
Cp,gas 684.43 J/mol×K 757.67 Calculated Property
Cp,gas 718.18 J/mol×K 838.44 Calculated Property
Cp,gas 746.22 J/mol×K 919.22 Calculated Property
Cp,gas 768.88 J/mol×K 1000.00 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)-, decyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, undecyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, heptyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, nonyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, dodecyl ester. «beta»- Alanine, N-(2,6-difluorobenzoyl)-, tetradecyl 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)-, pentadecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexadecyl ester.

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

Sources

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