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| CAS No.: | 18980-00-2 |
|---|---|
| Name: | 2-chloro-4-ethylphenol |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C8H9ClO |
| Molecular Weight: | 156.612 |
| Synonyms: | 2-Chloro-4-ethylphenol; |
| EINECS: | 242-717-3 |
| Density: | 1.18 g/cm3 |
| Boiling Point: | 223.4 °C at 760 mmHg |
| Flash Point: | 88.9 °C |
| Appearance: | white like or light brown crystalline powder |
| PSA: | 20.23000 |
| LogP: | 2.60800 |
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Specification
This chemical is called Phenol,2-chloro-4-ethyl-, and its systematic name is 2-Chloro-4-ethylphenol. With the molecular formula of C8H9ClO, its molecular weight is 156.61. The CAS registry number of the chemical is 18980-00-2.
Other characteristics of Phenol,2-chloro-4-ethyl- can be summarised as followings: (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): 3.01; (5)ACD/BCF (pH 5.5): 118.14; (6)ACD/BCF (pH 7.4): 114.02; (7)ACD/KOC (pH 5.5): 1059.19; (8)ACD/KOC (pH 7.4): 1022.22; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 42.57 cm3; (15)Molar Volume: 132.6 cm3; (16)Polarizability: 16.87×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 88.9 °C; (20)Enthalpy of Vaporization: 47.86 kJ/mol; (21)Boiling Point: 223.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0646 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(ccc1O)CC
2.InChI: InChI=1/C8H9ClO/c1-2-6-3-4-8(10)7(9)5-6/h3-5,10H,2H2,1H3
3.InChIKey: QNQRRCHRJHMSLF-UHFFFAOYAK
4.Std. InChI: InChI=1S/C8H9ClO/c1-2-6-3-4-8(10)7(9)5-6/h3-5,10H,2H2,1H3
5.Std. InChIKey: QNQRRCHRJHMSLF-UHFFFAOYSA-N