Chemical Properties of Sertraline, (hydroxyketone), acetyl

Sertraline, (hydroxyketone), acetyl

InChI
InChI=1S/C18H14Cl2O3/c1-10(21)23-17-9-14(11-6-7-15(19)16(20)8-11)12-4-2-3-5-13(12)18(17)22/h2-8,14,17H,9H2,1H3/t14-,17?/m1/s1
InChI Key
UXOKKONDIDHNRH-XPCCGILXSA-N
Formula
C18H14Cl2O3
SMILES
CC(=O)OC1CC(c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O
Molecular Weight1
349.21
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Physical Properties

Property Value Unit Source
ω 0.6409 Relay (1.0) Calculated Property
ΔfG° -42.82 kJ/mol Joback Calculated Property
ΔfH°gas -411.29 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.09 kJ/mol Joback Calculated Property
ΔvapH° 121.53 kJ/mol Relay (1.0) Calculated Property
IE 8.51 eV Relay (1.0) Calculated Property
log10WS -5.05 Relay (1.0) Calculated Property
logPoct/wat 4.643 Crippen Calculated Property
McVol 239.590 ml/mol McGowan Calculated Property
Pc 2066.12 kPa Joback Calculated Property
Inp 2660.00 NIST
Tboil 665.00 K Relay (1.0) Calculated Property
Tc 982.15 K Relay (1.0) Calculated Property
Tfus 375.06 K Relay (1.0) Calculated Property
Vc 0.838 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [687.73; 739.58] J/mol×K [904.85; 1165.37] Show Hide
Cp,gas 687.73 J/mol×K 904.85 Joback Calculated Property
Cp,gas 700.29 J/mol×K 948.27 Joback Calculated Property
Cp,gas 711.24 J/mol×K 991.69 Joback Calculated Property
Cp,gas 720.62 J/mol×K 1035.11 Joback Calculated Property
Cp,gas 728.45 J/mol×K 1078.53 Joback Calculated Property
Cp,gas 734.76 J/mol×K 1121.95 Joback Calculated Property
Cp,gas 739.58 J/mol×K 1165.37 Joback Calculated Property

Similar Compounds

Nalmefene. Strychnine. 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.

Find more compounds similar to Sertraline, (hydroxyketone), acetyl.

Sources

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