Basic information
- Name:
Benzene, C10-13-alkylderivs.
- CAS No.:
67774-74-7
- Molecular Structure:
- Formula:
- C17H28
- Molecular Weight:
- 232.4042
- Synonyms:
- Benzene, C10-C13 alkyl derivatives;
- EINECS:
- 229-806-2
- Density:
- 0.858 g/cm3
- Boiling Point:
- 315.8 °C at 760 mmHg
- Flash Point:
- 136.1 °C
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Specification
The Undecylbenzene, 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 undecylbenzene. This chemical's classification code is TSCA UVCB.
Physical properties of Undecylbenzene: (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