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Scintiverse BD cocktail

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Name

Scintiverse BD cocktail

EINECS 229-806-2
CAS No. 67774-74-7 Density 0.858 g/cm3
PSA 0.00000 LogP 5.75990
Solubility 41μg/L at 27℃ Melting Point N/A
Formula C17H28 Boiling Point 315.8 °C at 760 mmHg
Molecular Weight 232.4042 Flash Point 136.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 67774-74-7 (Scintiverse BD cocktail) Hazard Symbols N/A
Synonyms

Benzene, C10-C13 alkyl derivatives;

 

Scintiverse BD cocktail Specification

The Scintiverse BD cocktail, with the CAS registry number 67774-74-7, is also known as Benzene, C10-C13 alkyl derivatives. This chemical's molecular formula is C17H28 and molecular weight is 232.40422. Its IUPAC name is called Scintiverse BD cocktail. This chemical's classification code is TSCA UVCB.

Physical properties of Scintiverse BD cocktail: (1)ACD/LogP: 7.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.99; (4)ACD/LogD (pH 7.4): 7.99; (5)ACD/BCF (pH 5.5): 697934; (6)ACD/BCF (pH 7.4): 697934; (7)ACD/KOC (pH 5.5): 530361.75; (8)ACD/KOC (pH 7.4): 530361.75; (9)#Freely Rotating Bonds: 10; (10)Index of Refraction: 1.484; (11)Molar Refractivity: 77.49 cm3; (12)Molar Volume: 270.8 cm3; (13)Surface Tension: 31.5 dyne/cm; (14)Density: 0.858 g/cm3; (15)Flash Point: 136.1 °C; (16)Enthalpy of Vaporization: 53.49 kJ/mol; (17)Boiling Point: 315.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000791 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC1=CC=CC=C1
(2)InChI: InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3
(3)InChIKey: XBEADGFTLHRJRB-UHFFFAOYSA-N

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