Chemical Properties of l-Phenylalanine, n-heptafluorobutyryl-, propyl ester

l-Phenylalanine, n-heptafluorobutyryl-, propyl ester

InChI
InChI=1S/C16H16F7NO3/c1-2-8-27-12(25)11(9-10-6-4-3-5-7-10)24-13(26)14(17,18)15(19,20)16(21,22)23/h3-7,11H,2,8-9H2,1H3,(H,24,26)
InChI Key
BENJCXJHHRAYLJ-UHFFFAOYSA-N
Formula
C16H16F7NO3
SMILES
CCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
403.29
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 38.10 kJ/mol Joback Calculated Property
log10WS -5.02 Relay (1.0) Calculated Property
logPoct/wat 3.500 Crippen Calculated Property
McVol 243.920 ml/mol McGowan Calculated Property
Inp [1647.00; 1647.00]   Show Hide
Inp 1647.00 NIST
Inp 1647.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [733.78; 796.15] J/mol×K [739.38; 923.33] Show Hide
Cp,gas 733.78 J/mol×K 739.38 Joback Calculated Property
Cp,gas 746.36 J/mol×K 770.04 Joback Calculated Property
Cp,gas 757.97 J/mol×K 800.70 Joback Calculated Property
Cp,gas 768.69 J/mol×K 831.35 Joback Calculated Property
Cp,gas 778.58 J/mol×K 862.01 Joback Calculated Property
Cp,gas 787.71 J/mol×K 892.67 Joback Calculated Property
Cp,gas 796.15 J/mol×K 923.33 Joback Calculated Property

Similar Compounds

l-Phenylalanine, n-heptafluorobutyryl-, butyl ester. L-phenylalanine, n-heptafluorobutyryl-, ethyl ester. l-Phenylalanine, n-heptafluorobutyryl-, pentyl ester. l-Phenylalanine, n-heptafluorobutyryl-, hexyl ester. l-Phenylalanine, n-heptafluorobutyryl-, heptadecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, octadecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, dodecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, tetradecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, decyl ester. L-Phenylalanine, N-heptafluorobutyryl-, hexadecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, undecyl ester. L-Phenylalanine, N-heptafluorobutyryl-, nonyl ester. L-Phenylalanine, N-heptafluorobutyryl-, pentadecyl ester. l-Phenylalanine, n-heptafluorobutyryl-, isohexyl ester. l-Phenylalanine, n-pentafluoropropionyl-, propyl ester.

Find more compounds similar to l-Phenylalanine, n-heptafluorobutyryl-, propyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.