Chemical Properties of D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, pentyl ester

D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, pentyl ester

InChI
InChI=1S/C17H19F6NO3/c1-3-4-5-8-27-15(26)10(2)24-14(25)12-9-11(16(18,19)20)6-7-13(12)17(21,22)23/h6-7,9-10H,3-5,8H2,1-2H3,(H,24,25)
InChI Key
NVSYQQDCBWLBNS-UHFFFAOYSA-N
Formula
C17H19F6NO3
SMILES
CCCCCOC(=O)C(C)NC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
399.33
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Physical Properties

Property Value Unit Source
ΔfusH° 44.24 kJ/mol Joback Calculated Property
logPoct/wat 4.576 Crippen Calculated Property
McVol 256.240 ml/mol McGowan Calculated Property
Inp [1876.00; 1876.00]   Show Hide
Inp 1876.00 NIST
Inp 1876.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [393.36; 851.68] 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 A-3.96000e-01
Coefficient B1.74264e+00
Coefficient C-1.17862e-03
Coefficient D2.88060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 393.36 J/mol×K 273.00 Calculated Property
Cp,gas 481.35 J/mol×K 353.78 Calculated Property
Cp,gas 557.95 J/mol×K 434.56 Calculated Property
Cp,gas 624.06 J/mol×K 515.33 Calculated Property
Cp,gas 680.61 J/mol×K 596.11 Calculated Property
Cp,gas 728.50 J/mol×K 676.89 Calculated Property
Cp,gas 768.64 J/mol×K 757.67 Calculated Property
Cp,gas 801.94 J/mol×K 838.44 Calculated Property
Cp,gas 829.32 J/mol×K 919.22 Calculated Property
Cp,gas 851.68 J/mol×K 1000.00 Calculated Property

Similar Compounds

D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, decyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, heptyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, octyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, nonyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, hexyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, octadecyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, butyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, propyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, pentyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, nonyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, heptyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, tetradecyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, pentadecyl ester.

Find more compounds similar to D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, pentyl ester.

Sources

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