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13080-43-8

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Basic Information
CAS No.: 13080-43-8
Name: BETA-NAPHTHYL PROPIONATE
Article Data: 18
Molecular Structure:
Molecular Structure of 13080-43-8 (BETA-NAPHTHYL PROPIONATE)
Formula: C13H12O2
Molecular Weight: 200.237
Synonyms: 2-Naphthyl propionate;NSC406861;Propionic acid 2-naphthyl ester;b-Naphthyl propionate;
EINECS: 235-984-2
Density: 1.126 g/cm3
Melting Point: 48-51 °C
Boiling Point: 324 °C at 760 mmHg
Flash Point: 113.8 °C
PSA: 26.30000
LogP: 3.15520
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Specification

The 2-Naphthalenol,2-propanoate, with the CAS registry number 13080-43-8, is also known as 2-Naphthyl propionate. Its EINECS number is 235-984-2. This chemical's molecular formula is C13H12O2 and molecular weight is 200.23. What's more, its systematic name is Naphthalen-2-yl propanoate.

Physical properties of 2-Naphthalenol,2-propanoate are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 195.5; (6)ACD/BCF (pH 7.4): 195.5; (7)ACD/KOC (pH 5.5): 1519.2; (8)ACD/KOC (pH 7.4): 1519.2; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 60.06 cm3; (15)Molar Volume: 177.6 cm3; (16)Polarizability: 23.81×10-24 cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.126 g/cm3; (19)Flash Point: 113.8 °C; (20)Enthalpy of Vaporization: 56.6 kJ/mol; (21)Boiling Point: 324 °C at 760 mmHg; (22)Vapour Pressure: 0.000253 mmHg at 25 °C.

Preparation: this chemical can be prepared by Propionic acid anhydride and Naphthalen-2-ol at the temperature of 20 °C. This reaction will need reagent Mg(ClO4)2 with the reaction time of 1 hour. The yield is about 97%.

2-Naphthalenol,2-propanoate can be prepared by Propionic acid anhydride and Naphthalen-2-ol at the temperature of 20 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc2ccc1c(cccc1)c2)CC
(2)InChI: InChI=1/C13H12O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
(3)InChIKey: KVMXEPJRCAPKJL-UHFFFAOYAX