Chemical Properties of DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-

DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-

InChI
InChI=1S/C22H12F21NO6/c1-44(11(45)14(23,24)17(29,30)20(35,36)37)6-10(50-13(47)16(27,28)19(33,34)22(41,42)43)7-3-4-8(9(5-7)48-2)49-12(46)15(25,26)18(31,32)21(38,39)40/h3-5,10H,6H2,1-2H3
InChI Key
DQVQZQMDDNPFGN-UHFFFAOYSA-N
Formula
C22H12F21NO6
SMILES
COc1cc(C(CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
785.30
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Physical Properties

Property Value Unit Source
ΔfusH° 54.98 kJ/mol Joback Calculated Property
logPoct/wat 7.142 Crippen Calculated Property
McVol 366.550 ml/mol McGowan Calculated Property
Inp 1715.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [643.26; 1253.72] 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-4.34590e+01
Coefficient B3.20494e+00
Coefficient C-2.75762e-03
Coefficient D8.49860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 643.26 J/mol×K 273.00 Calculated Property
Cp,gas 782.87 J/mol×K 353.78 Calculated Property
Cp,gas 898.26 J/mol×K 434.56 Calculated Property
Cp,gas 992.13 J/mol×K 515.33 Calculated Property
Cp,gas 1067.15 J/mol×K 596.11 Calculated Property
Cp,gas 1126.02 J/mol×K 676.89 Calculated Property
Cp,gas 1171.42 J/mol×K 757.67 Calculated Property
Cp,gas 1206.05 J/mol×K 838.44 Calculated Property
Cp,gas 1232.59 J/mol×K 919.22 Calculated Property
Cp,gas 1253.72 J/mol×K 1000.00 Calculated Property

Similar Compounds

(.+/-.)-Epinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. DL-Metanephrine, N,O,O'-tris(pentafluoropropionyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. Cialis. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. DIHYDROERGOTAMINE. DIHYDROERGOKRYPTINE. cis-1,2-Indanediol, ferrocenylboronate. Guanosine, N-trimethylsilyl-, 2',3',5'-tris(trimethylsilyl) ether. Methyldesorphine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form).

Find more compounds similar to DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-.

Sources

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