Chemical Properties of Aspartic acid-phenylalanine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

Aspartic acid-phenylalanine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

InChI
InChI=1S/C19H23F3N2O6/c1-23(14(17(27)30-4)10-12-8-6-5-7-9-12)16(26)13(11-15(25)29-3)24(2)18(28)19(20,21)22/h5-9,13-14H,10-11H2,1-4H3
InChI Key
LCJUOZRBMKERRC-UHFFFAOYSA-N
Formula
C19H23F3N2O6
SMILES
COC(=O)CC(C(=O)N(C)C(Cc1ccccc1)C(=O)OC)N(C)C(=O)C(F)(F)F
Molecular Weight1
432.39
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° 51.77 kJ/mol Joback Calculated Property
IE 8.77 eV Relay (1.0) Calculated Property
logPoct/wat 1.181 Crippen Calculated Property
McVol 298.100 ml/mol McGowan Calculated Property
Inp [2235.00; 2294.00]   Show Hide
Inp 2235.00 NIST
Inp 2294.00 NIST
Inp 2235.00 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, Log10 of Water solubility in mol/l 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 [945.33; 998.97] J/mol×K [903.76; 1110.45] Show Hide
Cp,gas 945.33 J/mol×K 903.76 Joback Calculated Property
Cp,gas 957.05 J/mol×K 938.21 Joback Calculated Property
Cp,gas 967.56 J/mol×K 972.66 Joback Calculated Property
Cp,gas 976.95 J/mol×K 1007.10 Joback Calculated Property
Cp,gas 985.27 J/mol×K 1041.55 Joback Calculated Property
Cp,gas 992.58 J/mol×K 1076.00 Joback Calculated Property
Cp,gas 998.97 J/mol×K 1110.45 Joback Calculated Property

Similar Compounds

Serine-lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. Lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. xanthosine-5'-monophosphate, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. norbormide. Cialis. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. inosine-5'-monophosphate, TMS. Quinine, trimethylsilyl ether. N6-TFA-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-TFA. N6-TFA-2'-Deoxyadenosine, 3'-O-TFA, 5'-O-TBDMS. xanthosine, TMS. Dehydrojaconine. Dihydromorphine , di(trimehylsilyl) ether. Deserpidine.

Find more compounds similar to Aspartic acid-phenylalanine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

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.