1,3-Difluoro-5-pentylbenzene supplier

Name
1,3-Difluoro-5-pentylbenzene
EINECS
CAS No. 121219-25-8
Article Data3
CAS DataBase
Density 1.022 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄F₂
Boiling Point 197.2 °C at 760 mmHg
Molecular Weight 184.229
Flash Point 58.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-difluoro-1-pentylbenzene; 5-pentyl-1,3-difluorobenzene;
PSA 0.00000
LogP 3.69750

1,3-Difluoro-5-pentylbenzene Specification

The 1,3-Difluoro-5-pentylbenzene, with the CAS registry number 121219-25-8, is also known as Benzene,1,3-difluoro-5-pentyl-. This chemical's molecular formula is C₁₁H₁₄F₂ and molecular weight is 184.23. Its IUPAC name and systematic name are the same which is called 1,3-difluoro-5-pentylbenzene.

Physical properties of 1,3-Difluoro-5-pentylbenzene: (1)ACD/LogP: 4.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.94; (4)ACD/LogD (pH 7.4): 4.94; (5)ACD/BCF (pH 5.5): 3372.97; (6)ACD/BCF (pH 7.4): 3372.97; (7)ACD/KOC (pH 5.5): 11666.63; (8)ACD/KOC (pH 7.4): 11666.63; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.463; (11)Molar Refractivity: 49.68 cm³; (12)Molar Volume: 180.1 cm³; (13)Surface Tension: 28.8 dyne/cm; (14)Density: 1.022 g/cm³; (15)Flash Point: 58.4 °C; (16)Enthalpy of Vaporization: 41.57 kJ/mol; (17)Boiling Point: 197.2 °C at 760 mmHg; (18)Vapour Pressure: 0.54 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC1=CC(=CC(=C1)F)F
(2)InChI: InChI=1S/C11H14F2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8H,2-5H2,1H3
(3)InChIKey: YDJZPOPHPSWRQV-UHFFFAOYSA-N

Product Name

1,3-Difluoro-5-pentylbenzene

1,3-Difluoro-5-pentylbenzene Specification

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