Chemical Properties of Benzoic acid, 1-naphthyl ester (CAS 607-55-6)

Benzoic acid, 1-naphthyl ester

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InChI
InChI=1S/C17H12O2/c18-17(14-8-2-1-3-9-14)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
InChI Key
KZWCTFLBFSWYHS-UHFFFAOYSA-N
Formula
C17H12O2
SMILES
O=C(Oc1cccc2ccccc21)c1ccccc1
Molecular Weight1
248.28
CAS
607-55-6
Other Names
  • 1-Naphthol, benzoate
  • 1-Naphthyl benzoate
  • Benzoic acid, 1-naphthyl ester
Sources

Physical Properties

Property Value Unit Source
Δf 180.18 kJ/mol Joback Calculated Property
Δfgas 13.65 kJ/mol Joback Calculated Property
Δfus 27.29 kJ/mol Joback Calculated Property
Δvap 69.45 kJ/mol Joback Calculated Property
IE 7.81 eV NIST
logPoct/wat 4.06 Crippen Calculated Property
Pc 2735.42 kPa Joback Calculated Property
Tboil 741.97 K Joback Calculated Property
Tc 998.93 K Joback Calculated Property
Tfus 329.00 ± 0.50 K NIST
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 503.24 J/mol×K 741.97 Joback Calculated Property
η 0.00 Pa×s 741.97 Joback Calculated Property
ΔfusH 16.98 kJ/mol 329.2 NIST
ΔfusH 16.98 kJ/mol 329.2 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 4
>C=O (nonring) 1
=CH- (ring) 12

Similar Compounds

Benzoic acid, 2-naphthyl ester. P-toluic acid, 2-naphthyl ester. p-Anisic acid, 2-naphthyl ester. m-Toluic acid, 2-naphthyl ester. 4-Ethylbenzoic acid, 2-naphthyl ester. Naphthalene, 1-(phenylmethoxy)-. 1-Naphthoic acid, 2-naphthyl ester. Benzoic acid, phenyl ester. o-Toluic acid, 2-naphthyl ester. m-Anisic acid, 2-naphthyl ester. Isophthalic acid, 1-naphthyl propyl ester. 3-Bromobenzoic acid, 2-naphthyl ester. 4-Butylbenzoic acid, 2-naphthyl ester. 1,4-Benzenediol, monobenzoate. Benzoic acid, 4-methylphenyl ester.

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