Chemical Properties of Carteolol, acetylated

Carteolol, acetylated

InChI
InChI=1S/C21H30N2O5/c1-14(24)23(21(3,4)5)12-11-16(28-15(2)25)13-27-19-8-6-7-18-17(19)9-10-20(26)22-18/h6-8,16H,9-13H2,1-5H3,(H,22,26)
InChI Key
TYXHTZYLZMBLJV-UHFFFAOYSA-N
Formula
C21H30N2O5
SMILES
CC(=O)OC(CCN(C(C)=O)C(C)(C)C)COc1cccc2c1CCC(=O)N2
Molecular Weight1
390.47
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Physical Properties

Property Value Unit Source
ω 0.9451 Relay (1.0) Calculated Property
ΔfG° -116.09 kJ/mol Joback Calculated Property
ΔfH°gas -906.78 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 45.13 kJ/mol Joback Calculated Property
ΔvapH° 121.73 kJ/mol Relay (1.0) Calculated Property
IE 7.56 eV Relay (1.0) Calculated Property
log10WS -3.00 Relay (1.0) Calculated Property
logPoct/wat 2.919 Crippen Calculated Property
McVol 308.540 ml/mol McGowan Calculated Property
Pc 1516.39 kPa Joback Calculated Property
Inp 2700.00 NIST
Tboil 698.74 K Relay (1.0) Calculated Property
Tc 966.01 K Relay (1.0) Calculated Property
Tfus 394.40 K Relay (1.0) Calculated Property
Vc 1.116 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1041.98; 1098.41] J/mol×K [1009.92; 1245.42] Show Hide
Cp,gas 1041.98 J/mol×K 1009.92 Joback Calculated Property
Cp,gas 1055.10 J/mol×K 1049.17 Joback Calculated Property
Cp,gas 1066.66 J/mol×K 1088.42 Joback Calculated Property
Cp,gas 1076.72 J/mol×K 1127.67 Joback Calculated Property
Cp,gas 1085.33 J/mol×K 1166.92 Joback Calculated Property
Cp,gas 1092.54 J/mol×K 1206.17 Joback Calculated Property
Cp,gas 1098.41 J/mol×K 1245.42 Joback Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Brucine. TCN. Benzylmorphine. Nicocodine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl. Ethylmorphine. Methyldesorphine. Ergocristine. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Buprenorphine. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-.

Find more compounds similar to Carteolol, acetylated.

Sources

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