Chemical Properties of Benzo[a]pyren-7-ol (CAS 37994-82-4)

Benzo[a]pyren-7-ol

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InChI
InChI=1S/C20H12O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11,21H
InChI Key
CNQAYISXCZTDQX-UHFFFAOYSA-N
Formula
C20H12O
SMILES
Oc1cccc2c1cc1ccc3cccc4ccc2c1c34
Molecular Weight1
268.31
CAS
37994-82-4
Other Names
  • 7-Hydroxybenz[a]pyrene
  • 7-Hydroxybenzo(a)pyrene
  • Benzo(a)pyrene, 7-hydroxy-
Sources

Physical Properties

Property Value Unit Source
Δf 467.26 kJ/mol Joback Calculated Property
Δfgas 287.50 kJ/mol Joback Calculated Property
Δfus 37.27 kJ/mol Joback Calculated Property
Δvap 83.31 kJ/mol Joback Calculated Property
logPoct/wat 5.443 Crippen Calculated Property
Pc 3055.79 kPa Joback Calculated Property
Tboil 847.46 K Joback Calculated Property
Tc 1115.96 K Joback Calculated Property
Tfus 627.94 K Joback Calculated Property
Vc 0.732 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 564.39 J/mol×K 847.46 Joback Calculated Property
η 0.0001474 Pa×s 847.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 9
-OH (phenol) 1
=CH- (ring) 11

Similar Compounds

3-Hydroxybenz[a]pyrene. 1-Phenanthrenol. 9-Phenanthrenol. 1-HYDROXYPYRENE. 10-Hydroxybenz[a]pyrene. Anthracene, 1-hydroxy. 1,6-Dihydroxynaphthalene. 1-Naphthalenol. 9,10-Phenanthrenediol. 3-Hydroxybenz[a]anthracene. .beta.-Hydroxyanthracene. 1,7-Dihydroxynaphthalene. 1,3-Naphthalenediol. Anthralin. 1,2-Dihydroxynaphthalene.

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