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Phenol,2-chloro-5-ethyl-

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Name

Phenol,2-chloro-5-ethyl-

EINECS N/A
CAS No. 153812-97-6 Density 1.18 g/cm3
PSA 20.23000 LogP 2.60800
Solubility N/A Melting Point N/A
Formula C8H9ClO Boiling Point 225.2 °C at 760 mmHg
Molecular Weight 156.61 Flash Point 90 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 153812-97-6 (2-CHLORO-5-ETHYLPHENOL) Hazard Symbols N/A
Synonyms

2-Chloro-5-ethylphenol;

 

Phenol,2-chloro-5-ethyl- Specification

The Phenol,2-chloro-5-ethyl-, with the CAS registry number 153812-97-6. It belongs to the product categories of Phenol & Thiophenol & Mercaptan; Chlorine Compounds; Phenols. This chemical's molecular formula is C8H9ClO and molecular weight is 156.61. What's more, its systematic name is 2-Chloro-5-ethylphenol.

Physical properties of Phenol,2-chloro-5-ethyl- are: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 118.1; (6)ACD/BCF (pH 7.4): 111.07; (7)ACD/KOC (pH 5.5): 1058.83; (8)ACD/KOC (pH 7.4): 995.78; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 42.57 cm3; (15)Molar Volume: 132.6 cm3; (16)Polarizability: 16.87×10-24 cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 90 °C; (20)Enthalpy of Vaporization: 48.05 kJ/mol; (21)Boiling Point: 225.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0586 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(CC)ccc1Cl
(2)InChI: InChI=1/C8H9ClO/c1-2-6-3-4-7(9)8(10)5-6/h3-5,10H,2H2,1H3
(3)InChIKey: CKMBKXCVJBMYOH-UHFFFAOYAX

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