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
ω 1.0677 Relay (1.0) Calculated Property
ΔfG° -4431.36 kJ/mol Joback Calculated Property
ΔfH°gas -5297.75 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 51.81 kJ/mol Joback Calculated Property
ΔvapH° 108.91 kJ/mol Relay (1.0) Calculated Property
IE 9.35 eV Relay (1.0) Calculated Property
log10WS -9.38 Relay (1.0) 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 603.55 K Relay (1.0) Calculated Property
Tc 757.97 K Relay (1.0) Calculated Property
Tfus 391.16 K Relay (1.0) Calculated Property
Vc 1.419 m3/kmol Relay (1.0) 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. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether. QUINIDINE, M(HO-), AC. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Ergotamine. Nicodicodine. Xanthine riboside, TMS. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). [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»)-. Brucine.

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

Sources

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