Basic information
- Name:
Naphthalene,1,3,8-trimethyl-
- CAS No.:
17057-91-9
- Molecular Structure:
- Formula:
- C13H14
- Molecular Weight:
- 170.25
- Synonyms:
- 1,3,8-Trimethylnaphthalene;2,4,5-Trimethylnaphthalene;
- Density:
- 0.987 g/cm3
- Melting Point:
- 48 °C
- Boiling Point:
- 290 °C at 760 mmHg
- Flash Point:
- 130.3 °C
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
This chemical is called Naphthalene,1,3,8-trimethyl-, and its systematic name is 1,3,8-Trimethylnaphthalene. With the molecular formula of C13H14, its molecular weight is 170.25. The CAS registry number of this chemical is 17057-91-9. Additionally, its product category is Naphthalene Derivatives.
Other characteristics of the Naphthalene,1,3,8-trimethyl- can be summarised as followings: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.83; (4)ACD/LogD (pH 7.4): 4.83; (5)ACD/BCF (pH 5.5): 2755.51; (6)ACD/BCF (pH 7.4): 2755.51; (7)ACD/KOC (pH 5.5): 10094.66; (8)ACD/KOC (pH 7.4): 10094.66; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 58.57 cm3; (14)Molar Volume: 172.3 cm3; (15)Polarizability: 23.21×10-24cm3; (16)Surface Tension: 36.6 dyne/cm; (17)Density: 0.987 g/cm3; (18)Flash Point: 130.3 °C; (19)Enthalpy of Vaporization: 50.81 kJ/mol; (20)Boiling Point: 290 °C at 760 mmHg; (21)Vapour Pressure: 0.0037 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c12cccc(c1c(cc(c2)C)C)C
2.InChI: InChI=1/C13H14/c1-9-7-11(3)13-10(2)5-4-6-12(13)8-9/h4-8H,1-3H3
3.InChIKey: XYTKCJHHXQVFCK-UHFFFAOYAB