Chemical Properties of 2-(2',4',6'-Trichlorophenoxy)-4-methylthio-aceto-phenone (CAS 116465-23-7)

2-(2',4',6'-Trichlorophenoxy)-4-methylthio-aceto-phenone

InChI
InChI=1S/C15H11Cl3O2S/c1-8(19)11-4-3-10(21-2)7-14(11)20-15-12(17)5-9(16)6-13(15)18/h3-7H,1-2H3
InChI Key
RUFFIEBWNLDHNC-UHFFFAOYSA-N
Formula
C15H11Cl3O2S
SMILES
CSc1ccc(C(C)=O)c(Oc2c(Cl)cc(Cl)cc2Cl)c1
Molecular Weight1
361.67
CAS
116465-23-7
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Physical Properties

Property Value Unit Source
ω 0.6809 Relay (1.0) Calculated Property
ΔfG° 15.50 kJ/mol Joback Calculated Property
ΔfH°gas -220.80 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.25 kJ/mol Joback Calculated Property
ΔvapH° 104.30 kJ/mol Relay (1.0) Calculated Property
IE 8.03 eV Relay (1.0) Calculated Property
log10WS -6.91 Relay (1.0) Calculated Property
logPoct/wat 6.364 Crippen Calculated Property
McVol 235.200 ml/mol McGowan Calculated Property
Pc 2227.09 kPa Joback Calculated Property
Tboil 636.91 K Relay (1.0) Calculated Property
Tc 946.01 K Relay (1.0) Calculated Property
Tfus 360.61 K Relay (1.0) Calculated Property
Vc 0.816 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [575.07; 616.53] J/mol×K [878.22; 1139.69] Show Hide
Cp,gas 575.07 J/mol×K 878.22 Joback Calculated Property
Cp,gas 585.06 J/mol×K 921.80 Joback Calculated Property
Cp,gas 593.80 J/mol×K 965.38 Joback Calculated Property
Cp,gas 601.30 J/mol×K 1008.95 Joback Calculated Property
Cp,gas 607.58 J/mol×K 1052.53 Joback Calculated Property
Cp,gas 612.65 J/mol×K 1096.11 Joback Calculated Property
Cp,gas 616.53 J/mol×K 1139.69 Joback Calculated Property

Similar Compounds

4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide. propyl-cannabinolic acid, n-butyl-boronate. narwedine. Lysergol. 7-acetyl-9-curassavoylheliotridine. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. 17A-11-Dehydroestradiol, TMS. 11-Dehydroestradiol, TMS. Betamethasone tetra-TMS. Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy. Rhodoporphyrin-XV homologue, bis(trimethylsiloxy)silicon(IV) derivative. Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5«alpha»,5a«beta»,8a«alpha»)]-. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. Tazettine.

Find more compounds similar to 2-(2',4',6'-Trichlorophenoxy)-4-methylthio-aceto-phenone.

Sources

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