Tridecane, 4-methyl- supplier

Name
4-METHYLTRIDECANE
EINECS
CAS No. 26730-12-1
Density 0.763 g/cm³
Solubility
Melting Point -23.46°C (estimate)
Formula C₁₄H₃₀
Boiling Point 247.4 °C at 760 mmHg
Molecular Weight 198.392
Flash Point 80.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyltridecane;
PSA 0.00000
LogP 5.56330

Tridecane, 4-methyl- Specification

The Tridecane, 4-methyl-, with the CAS registry number 26730-12-1, has the systamtic name of 4-methyltridecane. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₄H₃₀.

The characteristics of Tridecane, 4-methyl- are as followings: (1)ACD/LogP: 8.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.01; (4)ACD/LogD (pH 7.4): 8.01; (5)ACD/BCF (pH 5.5): 720971.75; (6)ACD/BCF (pH 7.4): 720971.75; (7)ACD/KOC (pH 5.5): 542834.94; (8)ACD/KOC (pH 7.4): 542834.94; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 66.86 cm³; (15)Molar Volume: 260 cm³; (16)Polarizability: 26.5×10^-24cm³; (17)Surface Tension: 25.8 dyne/cm; (18)Density: 0.763 g/cm³; (19)Flash Point: 80.6 °C; (20)Enthalpy of Vaporization: 46.49 kJ/mol; (21)Boiling Point: 247.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0405 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C(CCCCCCCC(C)CCC)C
(2)InChI: InChI=1/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3
(3)InChIKey: BPHJCXVZYVVFBT-UHFFFAOYAD

Product Name

4-METHYLTRIDECANE

Tridecane, 4-methyl- Specification

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