Chemical Properties of Ephedrine,N,O-bis(heptafluorobutyryl) deriv. (CAS 66091-19-8)

Ephedrine,N,O-bis(heptafluorobutyryl) deriv.

InChI
InChI=1S/C18H13F14NO3/c1-8(33(2)11(34)13(19,20)15(23,24)17(27,28)29)10(9-6-4-3-5-7-9)36-12(35)14(21,22)16(25,26)18(30,31)32/h3-8,10H,1-2H3
InChI Key
BCMWTPKOZMDVHA-UHFFFAOYSA-N
Formula
C18H13F14NO3
SMILES
CC(C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1)N(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
557.28
CAS
66091-19-8
Other Names
  • Ephedrine, N,O-bis-HFB
  • N,O-Bis(heptafluorobutyryl)ephedrine
  • Ephedrine, HFB
  • Ephedrine, HFBA
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Physical Properties

Property Value Unit Source
ω 0.7306 Relay (1.0) Calculated Property
ΔfG° -2754.15 kJ/mol Joback Calculated Property
ΔfH°gas -3412.07 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.41 kJ/mol Joback Calculated Property
ΔvapH° 91.79 kJ/mol Relay (1.0) Calculated Property
IE 9.35 eV Relay (1.0) Calculated Property
log10WS -6.56 Relay (1.0) Calculated Property
logPoct/wat 5.784 Crippen Calculated Property
McVol 284.490 ml/mol McGowan Calculated Property
Pc 1105.21 kPa Joback Calculated Property
Tboil 547.60 K Relay (1.0) Calculated Property
Tc 710.33 K Relay (1.0) Calculated Property
Tfus 330.18 K Relay (1.0) Calculated Property
Vc 1.073 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [894.50; 953.13] J/mol×K [750.04; 922.45] Show Hide
Cp,gas 894.50 J/mol×K 750.04 Joback Calculated Property
Cp,gas 906.32 J/mol×K 778.77 Joback Calculated Property
Cp,gas 917.19 J/mol×K 807.51 Joback Calculated Property
Cp,gas 927.21 J/mol×K 836.24 Joback Calculated Property
Cp,gas 936.47 J/mol×K 864.98 Joback Calculated Property
Cp,gas 945.08 J/mol×K 893.71 Joback Calculated Property
Cp,gas 953.13 J/mol×K 922.45 Joback Calculated Property

Similar Compounds

amikacin. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [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»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

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Sources

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