Chemical Properties of l-Tyrosine, N,O-bis(butyryl)-, methyl ester

l-Tyrosine, N,O-bis(butyryl)-, methyl ester

InChI
InChI=1S/C18H25NO5/c1-4-6-16(20)19-15(18(22)23-3)12-13-8-10-14(11-9-13)24-17(21)7-5-2/h8-11,15H,4-7,12H2,1-3H3,(H,19,20)
InChI Key
ZZBJAIOUEAXYCC-UHFFFAOYSA-N
Formula
C18H25NO5
SMILES
CCCC(=O)NC(Cc1ccc(OC(=O)CCC)cc1)C(=O)OC
Molecular Weight1
335.39
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° 47.94 kJ/mol Joback Calculated Property
logPoct/wat 2.392 Crippen Calculated Property
McVol 267.150 ml/mol McGowan Calculated Property
Inp [2378.00; 2378.00]   Show Hide
Inp 2378.00 NIST
Inp 2378.00 NIST
Tboil 621.94 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [382.09; 869.06] 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 A2.22050e+01
Coefficient B1.51996e+00
Coefficient C-7.63460e-04
Coefficient D9.03600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 382.09 J/mol×K 273.00 Calculated Property
Cp,gas 468.38 J/mol×K 353.78 Calculated Property
Cp,gas 545.96 J/mol×K 434.56 Calculated Property
Cp,gas 615.11 J/mol×K 515.33 Calculated Property
Cp,gas 676.12 J/mol×K 596.11 Calculated Property
Cp,gas 729.27 J/mol×K 676.89 Calculated Property
Cp,gas 774.86 J/mol×K 757.67 Calculated Property
Cp,gas 813.16 J/mol×K 838.44 Calculated Property
Cp,gas 844.47 J/mol×K 919.22 Calculated Property
Cp,gas 869.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

l-Tyrosine, N,O-bis(caproyl)-, methyl ester. L-Tyrosine, N,O-bis(capryloyl)-, methyl ester. l-Tyrosine, N,O-bis(3-cyclopentylpropionyl)-, methyl ester. l-Phenylalanine, N-butyryl-, methyl ester. l-Phenylalanine, N-(5-chlorovaleryl)-, methyl ester. l-Phenylalanine, N-capryloyl-, methyl ester. l-Phenylalanine, N-caproyl-, methyl ester. Tyr, HFIP-PFP. L-Tyrosine, N-(trifluoroacetyl)-, butyl ester, trifluoroacetate (ester). DOPA, HFIP-PFP. Dihydroxyphenylalanine, TFE-PFP. L-Tyrosine, N,O-bis(2,6-difluorobenzoyl)-, methyl ester. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. Hydrastine.

Find more compounds similar to l-Tyrosine, N,O-bis(butyryl)-, methyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.