Chemical Properties of L-Tyrosine, N,O-bis(2-trifluoromethylbenzoyl)-, methyl ester

L-Tyrosine, N,O-bis(2-trifluoromethylbenzoyl)-, methyl ester

InChI
InChI=1S/C26H19F6NO5/c1-37-24(36)21(33-22(34)17-6-2-4-8-19(17)25(27,28)29)14-15-10-12-16(13-11-15)38-23(35)18-7-3-5-9-20(18)26(30,31)32/h2-13,21H,14H2,1H3,(H,33,34)
InChI Key
MTXLVTBNDCFFIM-UHFFFAOYSA-N
Formula
C26H19F6NO5
SMILES
COC(=O)C(Cc1ccc(OC(=O)c2ccccc2C(F)(F)F)cc1)NC(=O)c1ccccc1C(F)(F)F
Molecular Weight1
539.43
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° 59.62 kJ/mol Joback Calculated Property
logPoct/wat 5.458 Crippen Calculated Property
McVol 342.970 ml/mol McGowan Calculated Property

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, 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 [488.66; 1084.02] 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-3.66790e+01
Coefficient B2.32552e+00
Coefficient C-1.56898e-03
Coefficient D3.64160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 488.66 J/mol×K 273.00 Calculated Property
Cp,gas 605.79 J/mol×K 353.78 Calculated Property
Cp,gas 707.49 J/mol×K 434.56 Calculated Property
Cp,gas 794.90 J/mol×K 515.33 Calculated Property
Cp,gas 869.19 J/mol×K 596.11 Calculated Property
Cp,gas 931.51 J/mol×K 676.89 Calculated Property
Cp,gas 982.99 J/mol×K 757.67 Calculated Property
Cp,gas 1024.81 J/mol×K 838.44 Calculated Property
Cp,gas 1058.10 J/mol×K 919.22 Calculated Property
Cp,gas 1084.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Tyrosine, N,O-bis(2-fluorobenzoyl)-, methyl ester. l-Tyrosine, N,O-bis(3-trifluoromethylbenzoyl)-, methyl ester. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. (+)-Roemerine. l-Tyrosine, N,O-bis(4-fluorobenzoyl)-, methyl ester. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. HEPTAFLUOROBUTYRYL-CODEINE. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. DIHYDROERGOKRYPTINE. 6-Monoacetylmorphine. PACLITAXEL. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). DIHYDROERGOTAMINE.

Find more compounds similar to L-Tyrosine, N,O-bis(2-trifluoromethylbenzoyl)-, 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.