Chemical Properties of 6-(Dimethylaminomethyl)-2,2'-thio-bis-(4-chlorophenol) (CAS 116435-08-6)

6-(Dimethylaminomethyl)-2,2'-thio-bis-(4-chlorophenol)

InChI
InChI=1S/C15H15Cl2NO2S/c1-18(2)8-9-5-11(17)7-14(15(9)20)21-13-6-10(16)3-4-12(13)19/h3-7,19-20H,8H2,1-2H3
InChI Key
BKCCKHRWPLAHPA-UHFFFAOYSA-N
Formula
C15H15Cl2NO2S
SMILES
CN(C)Cc1cc(Cl)cc(Sc2cc(Cl)ccc2O)c1O
Molecular Weight1
344.26
CAS
116435-08-6
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Physical Properties

Property Value Unit Source
ω 0.7801 Relay (1.0) Calculated Property
ΔfG° 82.15 kJ/mol Joback Calculated Property
ΔfH°gas -185.98 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 48.63 kJ/mol Joback Calculated Property
ΔvapH° 129.08 kJ/mol Relay (1.0) Calculated Property
IE 7.51 eV Relay (1.0) Calculated Property
log10WS -4.26 Relay (1.0) Calculated Property
logPoct/wat 4.617 Crippen Calculated Property
McVol 237.240 ml/mol McGowan Calculated Property
Pc 3079.57 kPa Joback Calculated Property
Tboil 636.51 K Relay (1.0) Calculated Property
Tc 957.24 K Relay (1.0) Calculated Property
Tfus 426.95 K Relay (1.0) Calculated Property
Vc 0.807 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [652.39; 732.85] J/mol×K [928.22; 1192.79] Show Hide
Cp,gas 652.39 J/mol×K 928.22 Joback Calculated Property
Cp,gas 665.07 J/mol×K 972.31 Joback Calculated Property
Cp,gas 677.75 J/mol×K 1016.41 Joback Calculated Property
Cp,gas 690.64 J/mol×K 1060.50 Joback Calculated Property
Cp,gas 703.97 J/mol×K 1104.60 Joback Calculated Property
Cp,gas 717.97 J/mol×K 1148.69 Joback Calculated Property
Cp,gas 732.85 J/mol×K 1192.79 Joback Calculated Property

Similar Compounds

trans-2,3-Tetralinediol, ferrocenylboronate. 6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aS,8aS)-. narwedine. 2-(2-furyl)-3-hydroxypiperidine. 2-(5-methyl-2-furyl)-3-hydroxy-piperidine. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Benazepril Me. azadirachtin. Hydroxy-N-methylcytisine. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. 5,6-Dihydrouracil riboside, TMS. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS.

Find more compounds similar to 6-(Dimethylaminomethyl)-2,2'-thio-bis-(4-chlorophenol).

Sources

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