Chemical Properties of o-Synephrine, TFA

o-Synephrine, TFA

PDF Excel Molecule Calculator
InChI
InChI=1S/C15H10F9NO5/c1-25(10(26)13(16,17)18)6-9(30-12(28)15(22,23)24)7-4-2-3-5-8(7)29-11(27)14(19,20)21/h2-5,9H,6H2,1H3
InChI Key
OOBBYRJKEDDZTB-UHFFFAOYSA-N
Formula
C15H10F9NO5
SMILES
CN(CC(OC(=O)C(F)(F)F)c1ccccc1OC(=O)C(F)(F)F)C(=O)C(F)(F)F
Molecular Weight1
455.23
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Physical Properties

Property Value Unit Source
Δf -2054.99 kJ/mol Joback Calculated Property
Δfgas -2459.04 kJ/mol Joback Calculated Property
Δfus 40.41 kJ/mol Joback Calculated Property
Δvap 67.39 kJ/mol Joback Calculated Property
log10WS -4.34 Crippen Calculated Property
logPoct/wat 3.322 Crippen Calculated Property
McVol 240.810 ml/mol McGowan Calculated Property
Pc 1563.52 kPa Joback Calculated Property
Inp [1430.00; 1430.00]   Show Hide
Inp 1430.00 NIST
Inp 1430.00 NIST
Tboil 776.45 K Joback Calculated Property
Tc 959.53 K Joback Calculated Property
Tfus 522.04 K Joback Calculated Property
Vc 0.963 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [725.19; 774.49] J/mol×K [776.45; 959.53] Show Hide
Cp,gas 725.19 J/mol×K 776.45 Joback Calculated Property
Cp,gas 735.30 J/mol×K 806.96 Joback Calculated Property
Cp,gas 744.58 J/mol×K 837.48 Joback Calculated Property
Cp,gas 753.08 J/mol×K 867.99 Joback Calculated Property
Cp,gas 760.86 J/mol×K 898.50 Joback Calculated Property
Cp,gas 767.98 J/mol×K 929.01 Joback Calculated Property
Cp,gas 774.49 J/mol×K 959.53 Joback Calculated Property

Similar Compounds

R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-OH-alkyl-), (threo), 3AC. m-Synephrine, TFA. QUINIDINE, M(N-OXIDE), AC. QUINIDINE, AC. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Hydrastine. Noscapine. Butorphanol di-TMS derivative. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. cis-1,2-Tetralinediol, ferrocenylboronate. Desomorphine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Ethylmorphine, trimethylsilyl ether.

Find more compounds similar to o-Synephrine, TFA.

Sources

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