Benzene, heptadecyl- supplier

Name
1-PHENYLHEPTADECANE
EINECS 238-812-4
CAS No. 14752-75-1
Article Data58
CAS DataBase
Density 0.855 g/cm³
Solubility
Melting Point 32-38 °C
Formula C₂₃H₄₀
Boiling Point 397 °C at 760 mmHg
Molecular Weight 316.571
Flash Point 180.2 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Heptadecane,1-phenyl- (8CI);Heptadecylbenzene;Heptadecylbenzol;
PSA 0.00000
LogP 8.10050

Benzene, heptadecyl- Specification

The Benzene, heptadecyl- is an organic compound with the formula C₂₃H₄₀. The IUPAC name of this chemical is heptadecylbenzene. With the CAS registry number 14752-75-1, it is also named as 1-Phenylheptadecane.

Physical properties about Benzene, heptadecyl- are: (1)ACD/LogP: 11.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.18; (4)ACD/LogD (pH 7.4): 11.18; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#Freely Rotating Bonds: 16; (10)Index of Refraction: 1.481; (11)Molar Refractivity: 105.29 cm³; (12)Molar Volume: 369.8 cm³; (13)Polarizability: 41.74×10^-24cm³; (14)Surface Tension: 32.1 dyne/cm; (15)Density: 0.855 g/cm³; (16)Flash Point: 180.2 °C; (17)Enthalpy of Vaporization: 62.21 kJ/mol; (18)Boiling Point: 397 °C at 760 mmHg; (19)Vapour Pressure: 3.76E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3
(3)InChIKey: ZMPPFNHWXMJARX-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3
(5)Std. InChIKey: ZMPPFNHWXMJARX-UHFFFAOYSA-N

Product Name

1-PHENYLHEPTADECANE

Benzene, heptadecyl- Specification

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