Chemical Properties of 1(3H)-Isobenzofuranone, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)- (CAS 76-62-0)

1(3H)-Isobenzofuranone, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-

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InChI
InChI=1S/C20H10Br4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H
InChI Key
OBRGVMYQZVQHGO-UHFFFAOYSA-N
Formula
C20H10Br4O4
SMILES
O=C1OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21
Molecular Weight1
633.91
CAS
76-62-0
Other Names
  • Phenolphthalein, 3',3'',5',5''-tetrabromo-
  • Tetrabromophenolphthalein
  • 3',3'',5',5''-Tetrabromophenolphthalein
  • 3,3-bis(3,5-dibromo-4-hydroxyphenyl)phthalide
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Physical Properties

Property Value Unit Source
Δf 1.19 kJ/mol Joback Calculated Property
Δfgas -234.85 kJ/mol Joback Calculated Property
Δfus 59.77 kJ/mol Joback Calculated Property
Δvap 129.54 kJ/mol Joback Calculated Property
log10WS -8.92 Crippen Calculated Property
logPoct/wat 6.610 Crippen Calculated Property
McVol 299.700 ml/mol McGowan Calculated Property
Pc 4789.21 kPa Joback Calculated Property
Tboil 1289.57 K Joback Calculated Property
Tc 1612.31 K Joback Calculated Property
Tfus 1056.29 K Joback Calculated Property
Vc 0.995 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [954.31; 1405.53] J/mol×K [1289.57; 1612.31] Show Hide
Cp,gas 954.31 J/mol×K 1289.57 Joback Calculated Property
Cp,gas 1007.49 J/mol×K 1343.36 Joback Calculated Property
Cp,gas 1068.41 J/mol×K 1397.15 Joback Calculated Property
Cp,gas 1137.88 J/mol×K 1450.94 Joback Calculated Property
Cp,gas 1216.68 J/mol×K 1504.73 Joback Calculated Property
Cp,gas 1305.63 J/mol×K 1558.52 Joback Calculated Property
Cp,gas 1405.53 J/mol×K 1612.31 Joback Calculated Property

Similar Compounds

Phenolphthalein. Phenolphthalein, dibutyrate. Tetrabromophenolphthalein, ethyl ester. 15(ksi)-Hydroxyoestriol, TMS. QUINIDINE, M(N-OXIDE), AC. QUINIDINE, AC. Benzofuran-5-propanol, 2,3-dihydro-7-hydroxy-3-hydroxymethyl-2-(4-hydroxy-3-methoxyphenyl), tetrakis-TMS. Benzofuran-5-propanol, 2,3-dihydro-3-hydroxymethyl-7-methoxy-2-(4-hydroxy-3-methoxyphenyl), tris-TMS. Pentazocine TMS derivative. Pentazocine, trimethylsilyl ether. Mirtazapine-M (nor-HO-methoxy-) 2AC. Mirtazapine-M (HO-) AC. Mirtazapine-M (nor-HO-) 2AC. 12-O-Methylcarnosol. 7-acetyl-9-curassavoylheliotridine.

Find more compounds similar to 1(3H)-Isobenzofuranone, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-.

Sources

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