Chemical Properties of Sertraline, ketone

Sertraline, ketone

InChI
InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2/t11-/m1/s1
InChI Key
JGMBHJNMQVKDMW-LLVKDONJSA-N
Formula
C16H12Cl2O
SMILES
O=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
Molecular Weight1
291.17
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Physical Properties

Property Value Unit Source
ω 0.5607 Relay (1.0) Calculated Property
ΔfG° 181.97 kJ/mol Joback Calculated Property
ΔfH°gas -32.89 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.05 kJ/mol Joback Calculated Property
ΔvapH° 107.27 kJ/mol Relay (1.0) Calculated Property
IE 8.72 eV Relay (1.0) Calculated Property
log10WS -5.89 Relay (1.0) Calculated Property
logPoct/wat 5.102 Crippen Calculated Property
McVol 203.970 ml/mol McGowan Calculated Property
Pc 2448.32 kPa Joback Calculated Property
Inp 2480.00 NIST
Tboil 662.19 K Relay (1.0) Calculated Property
Tc 972.14 K Relay (1.0) Calculated Property
Tfus 371.06 K Relay (1.0) Calculated Property
Vc 0.719 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [537.55; 607.22] J/mol×K [787.47; 1060.11] Show Hide
Cp,gas 537.55 J/mol×K 787.47 Joback Calculated Property
Cp,gas 552.57 J/mol×K 832.91 Joback Calculated Property
Cp,gas 566.13 J/mol×K 878.35 Joback Calculated Property
Cp,gas 578.30 J/mol×K 923.79 Joback Calculated Property
Cp,gas 589.16 J/mol×K 969.23 Joback Calculated Property
Cp,gas 598.77 J/mol×K 1014.67 Joback Calculated Property
Cp,gas 607.22 J/mol×K 1060.11 Joback Calculated Property

Similar Compounds

Sertraline, (hydroxyketone), acetyl. Sertraline, acetyl. N-Desmethylmirtazapine. (E)-Methyl 2-((1'R,6'R,7'S,8a'S)-6'-ethyl-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. 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, ketone.

Sources

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