Chemical Properties of Metoprolol, HFB

Metoprolol, HFB

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InChI
InChI=1S/C23H23F14NO5/c1-12(2)38(16(39)18(24,25)20(28,29)22(32,33)34)10-15(11-42-14-6-4-13(5-7-14)8-9-41-3)43-17(40)19(26,27)21(30,31)23(35,36)37/h4-7,12,15H,8-11H2,1-3H3
InChI Key
DMQKSVYESQFJJB-UHFFFAOYSA-N
Formula
C23H23F14NO5
SMILES
COCCc1ccc(OCC(CN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C)OC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
Molecular Weight1
659.41
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Physical Properties

Property Value Unit Source
ΔfG° -2931.68 kJ/mol Joback Calculated Property
ΔfH°gas -3655.88 kJ/mol Joback Calculated Property
ΔfusH° 50.35 kJ/mol Joback Calculated Property
ΔvapH° 72.51 kJ/mol Joback Calculated Property
log10WS -7.35 Crippen Calculated Property
logPoct/wat 6.069 Crippen Calculated Property
McVol 366.680 ml/mol McGowan Calculated Property
Pc 799.34 kPa Joback Calculated Property
Inp 2024.00 NIST
Tboil 914.26 K Joback Calculated Property
Tc 1125.78 K Joback Calculated Property
Tfus 579.71 K Joback Calculated Property
Vc 1.474 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1232.90; 1303.73] J/mol×K [914.26; 1125.78] Show Hide
Cp,gas 1232.90 J/mol×K 914.26 Joback Calculated Property
Cp,gas 1246.74 J/mol×K 949.51 Joback Calculated Property
Cp,gas 1259.54 J/mol×K 984.77 Joback Calculated Property
Cp,gas 1271.48 J/mol×K 1020.02 Joback Calculated Property
Cp,gas 1282.71 J/mol×K 1055.27 Joback Calculated Property
Cp,gas 1293.41 J/mol×K 1090.52 Joback Calculated Property
Cp,gas 1303.73 J/mol×K 1125.78 Joback Calculated Property

Similar Compounds

Toliprolol, HFB. 2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-[4-(2-cyclopropylmethoxyethyl)phenoxy]propane. Alprenolol, HFB. Oxprenolol, HFB. propranolol, HFB. 1-(2-Acetoxyethyl)-4-[2-acetoxy-3-acetyl(isopropyl)aminopropyl]benzene. Carteolol, PFB-TMS. xanthosine-5'-monophosphate, TMS. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. inosine-5'-monophosphate, TMS. Quinine, trimethylsilyl ether. xanthosine, TMS. N6-TFA-2'-Deoxyadenosine, 3'-O-TFA, 5'-O-TBDMS. N6-TFA-2'-Deoxyadenosine, 3'-O-TBDMS, 5'-O-TFA. 7-tiglyl echinatine, diTMS, dihydro.

Find more compounds similar to Metoprolol, HFB.

Sources

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