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13913-82-1

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Basic Information
CAS No.: 13913-82-1
Name: 1,5-DECALINDIONE
Article Data: 6
Molecular Structure:
Molecular Structure of 13913-82-1 (1,5-DECALINDIONE)
Formula: C10H14O2
Molecular Weight: 166.22
Synonyms: 1,5-Decalindione;NSC 142689;octahydronaphthalene-1,5-dione;
Density: 1.097 g/cm3
Melting Point: 68-72 °C
Boiling Point: 299.7 °C at 760 mmHg
Flash Point: 111.9 °C
PSA: 34.14000
LogP: 1.72480
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Specification

The CAS register number of 1,5-Naphthalenedione,octahydro- is 13913-82-1. It also can be called as 1,5-Decalindione and the systematic name about this chemical is octahydronaphthalene-1,5-dione. The molecular formula about this chemical is C10H14O2 and the molecular weight is 166.22.

Physical properties about 1,5-Naphthalenedione,octahydro- are: (1)ACD/LogP: 0.33; (2)#H bond acceptors: 2; (3)Polar Surface Area: 34.14 Å2; (4)Index of Refraction: 1.498; (5)Molar Refractivity: 44.43 cm3; (6)Molar Volume: 151.4 cm3; (7)Polarizability: 17.61x10-24cm3; (8)Surface Tension: 38.7 dyne/cm; (9)Density: 1.097 g/cm3; (10)Flash Point: 111.9 °C; (11)Enthalpy of Vaporization: 53.98 kJ/mol; (12)Boiling Point: 299.7 °C at 760 mmHg; (13)Vapour Pressure: 0.00117 mmHg at 25 °C.

Uses of 1,5-Naphthalenedione,octahydro-: it can be used to produce 2,3,4,6,7,8-hexahydro-naphthalene-1,5-dione. This reaction will need reagents of oxygen, hydrogen chloride and solvents of benzene, propan-2-ol. The reaction time is 18 days and the yield is about 54%.

1,5-Naphthalenedione,octahydro- can be used to produce 2,3,4,6,7,8-hexahydro-naphthalene-1,5-dione.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCC2C(=O)CCCC12
(2)InChI: InChI=1/C10H14O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h7-8H,1-6H2
(3)InChIKey: MKIFFVCLZZRCQL-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H14O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h7-8H,1-6H2
(5)Std. InChIKey: MKIFFVCLZZRCQL-UHFFFAOYSA-N