Chemical Properties of 1-Naphthalenecarboxylic acid (CAS 86-55-5)

1-Naphthalenecarboxylic acid

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InChI
InChI=1S/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)
InChI Key
LNETULKMXZVUST-UHFFFAOYSA-N
Formula
C11H8O2
SMILES
O=C(O)c1cccc2ccccc21
Molecular Weight1
172.18
CAS
86-55-5
Other Names
  • 1-Carboxynaphthalene
  • 1-Naphthioic acid
  • 1-Naphthoic acid
  • Naphthalene-«alpha»-carboxylic acid
  • «alpha»-Naphthoic acid
  • «alpha»-Naphthylcarboxylic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid [-5150.90; -5110.70] kJ/mol Show Hide
Δcsolid -5110.70 ± 5.10 kJ/mol NIST
Δcsolid -5150.90 ± 6.70 kJ/mol NIST
Δcsolid -5138.41 ± 0.88 kJ/mol NIST
Δcsolid -5138.43 ± 0.87 kJ/mol NIST
Δf -14.57 kJ/mol Joback Calculated Property
Δfgas -223.10 kJ/mol NIST
Δfsolid -333.50 ± 1.00 kJ/mol NIST
Δfus 20.60 kJ/mol Joback Calculated Property
Δsub 110.40 kJ/mol NIST
Δsub 113.64 kJ/mol NIST
Δsub 113.60 kJ/mol NIST
Δvap 68.08 kJ/mol Joback Calculated Property
IE 8.29 eV NIST
IE 8.29 eV NIST
logPoct/wat 2.54 Crippen Calculated Property
Pc 4119.70 kPa Joback Calculated Property
Tboil 573.20 K NIST
Tc 870.83 K Joback Calculated Property
Tfus 434.15 ± 2.00 K NIST
Tfus 433.90 ± 0.80 K NIST
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 312.31 J/mol×K 647.77 Joback Calculated Property
η 0.00 Pa×s 647.77 Joback Calculated Property
ΔfusH 19.89 kJ/mol 435.2 NIST
ΔfusH 19.89 kJ/mol 435.2 NIST
ΔsubH 110.40 ± 0.20 kJ/mol 350.0 NIST
ΔsubH 110.40 ± 0.20 kJ/mol 350.5 NIST
ΔvapH 97.20 kJ/mol 515.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-OH (alcohol) 1
>C=O (nonring) 1
=CH- (ring) 7

Similar Compounds

9-Anthracenecarboxylic acid. 1,6-Naphthalenedicarboxylic acid. 3,9-perylenedicarboxylic acid. 1-Naphthalenecarboxylic acid, methyl ester. naphthalenecarboxylic acid, methyl ester. 1-Naphthalenecarboxylic acid, ethyl ester. 2-Naphthalenecarboxylic acid. 2,6-Naphthalenedicarboxylic acid. 2-Anthracenecarboxylic acid. 1-Naphthalenemethanol. 1-Naphthalenecarboxaldehyde. 1-Naphthoic acid, 3-chloroprop-2-enyl ester. 9-Anthracenemethanol. 1-Naphthoic acid, 3-methylbut-2-enyl ester. 9-Anthraldehyde.

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