Chemical Properties of «beta»-Alanine, N-(3-fluorobenzoyl)-, hexyl ester

«beta»-Alanine, N-(3-fluorobenzoyl)-, hexyl ester

InChI
InChI=1S/C16H22FNO3/c1-2-3-4-5-11-21-15(19)9-10-18-16(20)13-7-6-8-14(17)12-13/h6-8,12H,2-5,9-11H2,1H3,(H,18,20)
InChI Key
YOYUEPRUTMTMNH-UHFFFAOYSA-N
Formula
C16H22FNO3
SMILES
CCCCCCOC(=O)CCNC(=O)c1cccc(F)c1
Molecular Weight1
295.35
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Physical Properties

Property Value Unit Source
ΔfusH° 44.99 kJ/mol Joback Calculated Property
ΔvapH° 98.24 kJ/mol Relay (1.0) Calculated Property
log10WS -4.36 Relay (1.0) Calculated Property
logPoct/wat 3.069 Crippen Calculated Property
McVol 233.300 ml/mol McGowan Calculated Property
Pc 1733.22 kPa Joback Calculated Property
Inp [2237.00; 2237.00]   Show Hide
Inp 2237.00 NIST
Inp 2237.00 NIST
Tboil 622.13 K Relay (1.0) Calculated Property
Tfus 301.84 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [331.84; 764.31] 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 A6.38700e+00
Coefficient B1.39062e+00
Coefficient C-7.62460e-04
Coefficient D1.29760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 331.84 J/mol×K 273.00 Calculated Property
Cp,gas 408.67 J/mol×K 353.78 Calculated Property
Cp,gas 477.36 J/mol×K 434.56 Calculated Property
Cp,gas 538.29 J/mol×K 515.33 Calculated Property
Cp,gas 591.90 J/mol×K 596.11 Calculated Property
Cp,gas 638.58 J/mol×K 676.89 Calculated Property
Cp,gas 678.76 J/mol×K 757.67 Calculated Property
Cp,gas 712.83 J/mol×K 838.44 Calculated Property
Cp,gas 741.21 J/mol×K 919.22 Calculated Property
Cp,gas 764.31 J/mol×K 1000.00 Calculated Property

Similar Compounds

.beta.-Alanine, N-(3-fluorobenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, octyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, nonyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, pentadecyl ester. .beta.-Alanine, N-(3-fluorobenzoyl)-, heptyl ester. .beta.-Alanine, N-(3-fluorobenzoyl)-, decyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, pentyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, butyl ester. .beta.-Alanine, N-(4-fluorobenzoyl)-, hexyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, nonyl ester. .beta.-Alanine, N-(4-fluorobenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, tetradecyl ester. .BETA.-alanine, n-(4-fluorobenzoyl)-, octyl ester.

Find more compounds similar to «beta»-Alanine, N-(3-fluorobenzoyl)-, hexyl ester.

Sources

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