Chemical Properties of 6H,12H,18H-Tribenzo[b,f,j][1,5,9]trioxacyclododecin, 6,12,18-tri(oxo)-

6H,12H,18H-Tribenzo[b,f,j][1,5,9]trioxacyclododecin, 6,12,18-tri(oxo)-

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InChI
InChI=1S/C21H12O6/c22-19-13-7-1-4-10-16(13)25-20(23)15-9-3-6-12-18(15)27-21(24)14-8-2-5-11-17(14)26-19/h1-12H
InChI Key
KYLIMUJRJDIPPF-UHFFFAOYSA-N
Formula
C21H12O6
SMILES
O=C1Oc2ccccc2C(=O)Oc2ccccc2C(=O)Oc2ccccc21
Molecular Weight1
360.32

Physical Properties

Property Value Unit Source
Δf -159.69 kJ/mol Joback Calculated Property
Δfgas -536.03 kJ/mol Joback Calculated Property
Δfus 44.33 kJ/mol Joback Calculated Property
Δvap 98.16 kJ/mol Joback Calculated Property
log10WS -5.98 Crippen Calculated Property
logPoct/wat 3.658 Crippen Calculated Property
McVol 246.930 ml/mol McGowan Calculated Property
Pc 2576.72 kPa Joback Calculated Property
Inp [3228.00; 3228.00]   Show Hide
Inp 3228.00 NIST
Inp 3228.00 NIST
Tboil 1083.39 K Joback Calculated Property
Tc 1383.53 K Joback Calculated Property
Tfus 739.24 K Joback Calculated Property
Vc 0.905 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [754.90; 789.12] J/mol×K [1083.39; 1383.53] Show Hide
Cp,gas 785.49 J/mol×K 1083.39 Joback Calculated Property
Cp,gas 788.98 J/mol×K 1133.41 Joback Calculated Property
Cp,gas 789.12 J/mol×K 1183.44 Joback Calculated Property
Cp,gas 785.85 J/mol×K 1233.46 Joback Calculated Property
Cp,gas 779.10 J/mol×K 1283.49 Joback Calculated Property
Cp,gas 768.80 J/mol×K 1333.51 Joback Calculated Property
Cp,gas 754.90 J/mol×K 1383.53 Joback Calculated Property

Similar Compounds

6H,12H-Dibenzo[b,f][1,5]dioxocin-6,12-dione. Benzoic acid, 2-methoxy-, phenyl ester. Salsalate. o-Anisic acid, 4-methoxyphenyl ester. 3,9-dimethoxy-6H,12H-dibenzo[b,f][1,5]dioxocine-6,12-dione. o-Anisic acid, 4-cyanophenyl ester. Phenyl salicylate. o-Anisic acid, 2-naphthyl ester. o-Anisic acid, 4-chlorophenyl ester. o-Methoxybenzoic acid, 2-methylphenyl ester. o-Anisic acid, 3-methylphenyl ester. o-Methoxybenzoic acid, 3,5-difluorophenyl ester. 4-Chlorophenyl salicylate. 3-Methoxyphenyl salicylate. o-Anisic acid, 3,4-dichlorophenyl ester.

Find more compounds similar to 6H,12H,18H-Tribenzo[b,f,j][1,5,9]trioxacyclododecin, 6,12,18-tri(oxo)-.

Sources

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