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

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

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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

Physical Properties

Property Value Unit Source
Δf -4431.36 kJ/mol Joback Calculated Property
Δfgas -5153.03 kJ/mol Joback Calculated Property
Δfus 51.81 kJ/mol Joback Calculated Property
Δvap 68.47 kJ/mol Joback Calculated Property
log10WS -8.85 Crippen Calculated Property
logPoct/wat 7.142 Crippen Calculated Property
McVol 366.550 ml/mol McGowan Calculated Property
Pc 746.92 kPa Joback Calculated Property
Inp 1715.00 NIST
Tboil 935.87 K Joback Calculated Property
Tc 1167.46 K Joback Calculated Property
Tfus 657.28 K Joback Calculated Property
Vc 1.522 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1234.50; 1296.09] J/mol×K [935.87; 1167.46] Show Hide
Cp,gas 1234.50 J/mol×K 935.87 Joback Calculated Property
Cp,gas 1245.61 J/mol×K 974.47 Joback Calculated Property
Cp,gas 1255.99 J/mol×K 1013.07 Joback Calculated Property
Cp,gas 1265.95 J/mol×K 1051.67 Joback Calculated Property
Cp,gas 1275.75 J/mol×K 1090.26 Joback Calculated Property
Cp,gas 1285.70 J/mol×K 1128.86 Joback Calculated Property
Cp,gas 1296.09 J/mol×K 1167.46 Joback 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. adenosine-3'-monophosphate, TMS. Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl. Ajmaline. Galantamin.

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

Sources

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