Naphthalene,1,3,8-trimethyl- supplier

Name
2,4,5-TRIMETHYLNAPHTHALENE
EINECS 241-121-0
CAS No. 17057-91-9
Density 0.987 g/cm³
Solubility
Melting Point 48 °C
Formula C₁₃H₁₄
Boiling Point 290 °C at 760 mmHg
Molecular Weight 170.254
Flash Point 130.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3,8-Trimethylnaphthalene;2,4,5-Trimethylnaphthalene;
PSA 0.00000
LogP 3.76500

Naphthalene,1,3,8-trimethyl- 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

Product Name

2,4,5-TRIMETHYLNAPHTHALENE

Naphthalene,1,3,8-trimethyl- Specification

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