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Basic Information
CAS No.: 641-91-8
Name: 1,2,5-TRIMETHYLNAPHTHALENE
Article Data: 48
Molecular Structure:
Molecular Structure of 641-91-8 (1,2,5-TRIMETHYLNAPHTHALENE)
Formula: C13H14
Molecular Weight: 170.254
Synonyms: 1,2,5-Trimethylnaphthalene;
EINECS: 211-379-9
Density: 0.987 g/cm3
Melting Point: 33.5°C
Boiling Point: 290.2 °C at 760 mmHg
Flash Point: 130.5 °C
PSA: 0.00000
LogP: 3.76500
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Specification

The CAS register number of Naphthalene,1,2,5-trimethyl- is 641-91-8. The systematic name about this chemical is 1,2,5-trimethylnaphthalene. The molecular formula about this chemical is C13H14 and the molecular weight is 170.25. It belongs to the following product category which includes Naphthalene derivatives.

Physical properties about Naphthalene,1,2,5-trimethyl- are: (1)ACD/LogP: 4.83; (2)ACD/LogD (pH 5.5): 4.83; (3)ACD/LogD (pH 7.4): 4.83; (4)ACD/BCF (pH 5.5): 2755.51; (5)ACD/BCF (pH 7.4): 2755.51; (6)ACD/KOC (pH 5.5): 10094.66; (7)ACD/KOC (pH 7.4): 10094.66; (8)Index of Refraction: 1.594; (9)Molar Refractivity: 58.57 cm3; (10)Molar Volume: 172.3 cm3; (11)Polarizability: 23.21x10-24cm3; (12)Surface Tension: 36.6 dyne/cm; (13)Density: 0.987 g/cm3; (14)Flash Point: 130.5 °C; (15)Enthalpy of Vaporization: 50.83 kJ/mol; (16)Boiling Point: 290.2 °C at 760 mmHg; (17)Vapour Pressure: 0.00365 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: c2c1c(cccc1c(c(c2)C)C)C
(2)InChI: InChI=1/C13H14/c1-9-7-8-12-10(2)5-4-6-13(12)11(9)3/h4-8H,1-3H3
(3)InChIKey: KTDQNLIDLMRHCJ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H14/c1-9-7-8-12-10(2)5-4-6-13(12)11(9)3/h4-8H,1-3H3
(5)Std. InChIKey: KTDQNLIDLMRHCJ-UHFFFAOYSA-N