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
ΔfusH° 28.05 kJ/mol Joback Calculated Property
logPoct/wat 5.102 Crippen Calculated Property
McVol 203.970 ml/mol McGowan Calculated Property
Inp 2480.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [537.62; 607.26] J/mol×K [787.67; 1060.37] Show Hide
Cp,gas 537.62 J/mol×K 787.67 Joback Calculated Property
Cp,gas 552.64 J/mol×K 833.12 Joback Calculated Property
Cp,gas 566.19 J/mol×K 878.57 Joback Calculated Property
Cp,gas 578.36 J/mol×K 924.02 Joback Calculated Property
Cp,gas 589.21 J/mol×K 969.47 Joback Calculated Property
Cp,gas 598.82 J/mol×K 1014.92 Joback Calculated Property
Cp,gas 607.26 J/mol×K 1060.37 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. uridine-2'(3')-monophosphate, TMS. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. BUPRENORPHINE. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Hydromorphone, trimethylsilyl ether. PACLITAXEL. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. Neopine.

Find more compounds similar to Sertraline, ketone.

Sources

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