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CAS No.: | 91902-58-8 |
---|---|
Name: | 1-Naphthalenecarboxylicacid, 4-ethyl- |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C13H12O2 |
Molecular Weight: | 200.237 |
Synonyms: | 1-Naphthoicacid, 4-ethyl- (6CI,7CI);NSC 408421; |
Density: | 1.185g/cm3 |
Boiling Point: | 379.3 °C at 760 mmHg |
Flash Point: | 173.2 °C |
PSA: | 37.30000 |
LogP: | 3.10040 |
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The 1-Naphthalenecarboxylicacid, 4-ethyl-, with CAS registry number 91902-58-8, has the systematic name of 4-ethylnaphthalene-1-carboxylic acid. Besides this, it is also called 4-Ethyl-1-naphthoic acid. And the chemical formula of this chemical is C13H12O2.
Physical properties of 1-Naphthalenecarboxylicacid, 4-ethyl-: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.636; (8)Molar Refractivity: 60.57 cm3; (9)Molar Volume: 168.8 cm3; (10)Polarizability: 24.01×10-24cm3; (11)Surface Tension: 50.3 dyne/cm; (12)Density: 1.185 g/cm3; (13)Flash Point: 173.2 °C; (14)Enthalpy of Vaporization: 66.18 kJ/mol; (15)Boiling Point: 379.3 °C at 760 mmHg; (16)Vapour Pressure: 1.98E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2c1ccccc1c(cc2)CC
(2)InChI: InChI=1/C13H12O2/c1-2-9-7-8-12(13(14)15)11-6-4-3-5-10(9)11/h3-8H,2H2,1H3,(H,14,15)
(3)InChIKey: PLFCGQDMWZGHOQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C13H12O2/c1-2-9-7-8-12(13(14)15)11-6-4-3-5-10(9)11/h3-8H,2H2,1H3,(H,14,15)
(5)Std. InChIKey: PLFCGQDMWZGHOQ-UHFFFAOYSA-N