Chemical Properties of 3,9-perylenedicarboxylic acid (CAS 6364-19-8)

3,9-perylenedicarboxylic acid

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InChI
InChI=1S/C22H12O4/c23-21(24)17-9-8-16-12-4-2-6-14-18(22(25)26)10-7-15(20(12)14)11-3-1-5-13(17)19(11)16/h1-10H,(H,23,24)(H,25,26)
InChI Key
SDPOODQJUWAHOW-UHFFFAOYSA-N
Formula
C22H12O4
SMILES
O=C(O)c1ccc2c3cccc4c(C(=O)O)ccc(c5cccc1c52)c43
Molecular Weight1
340.33
CAS
6364-19-8
Sources

Physical Properties

Property Value Unit Source
Δcsolid -9741.60 kJ/mol NIST
Δf 87.98 kJ/mol Joback Calculated Property
Δfgas -129.03 kJ/mol Joback Calculated Property
Δfus 47.26 kJ/mol Joback Calculated Property
Δvap 122.93 kJ/mol Joback Calculated Property
logPoct/wat 5.13 Crippen Calculated Property
Pc 2859.68 kPa Joback Calculated Property
Tboil 1114.66 K Joback Calculated Property
Tc 1366.51 K Joback Calculated Property
Tfus 785.30 K Joback Calculated Property
Vc 0.93 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 736.46 J/mol×K 1114.66 Joback Calculated Property
η 0.00 Pa×s 1114.66 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 10
-OH (alcohol) 2
>C=O (nonring) 2
=CH- (ring) 10

Similar Compounds

9-Anthracenecarboxylic acid. 1-Naphthalenecarboxylic acid. 1,6-Naphthalenedicarboxylic acid. 2-Anthracenecarboxylic acid. 1-Naphthalenecarboxylic acid, methyl ester. naphthalenecarboxylic acid, methyl ester. 2-Naphthalenecarboxylic acid. 2,6-Naphthalenedicarboxylic acid. Phenanthrene-9-carboxaldehyde. 1-Pyrenecarboxaldehyde. 1-Naphthalenecarboxylic acid, ethyl ester. 9-Anthracenemethanol. 9-Anthraldehyde. 1-Naphthoic acid, 3-chloroprop-2-enyl ester. 2-Naphthalenecarboxylic acid, methyl ester.

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