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20056-66-0

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Basic Information
CAS No.: 20056-66-0
Name: 3-PENTYL-PHENOL
Article Data: 14
Molecular Structure:
Molecular Structure of 20056-66-0 (3-PENTYL-PHENOL)
Formula: C11H16O
Molecular Weight: 164.247
Synonyms: 3-pentylphenol;m-Pentylphenol;
EINECS: 243-487-7
Density: 0.964 g/cm3
Boiling Point: 265.4 °C at 760 mmHg
Flash Point: 136.2 °C
PSA: 20.23000
LogP: 3.12490
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Specification

The Phenol, 3-pentyl-, with the CAS registry number 20056-66-0, is also known as m-Pentylphenol. Its EINECS number is 243-487-7. This chemical's molecular formula is C11H16O and molecular weight is 164.24. What's more, its systematic name is 3-Pentylphenol. 

Physical properties of Phenol, 3-pentyl- are: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.07; (4)ACD/LogD (pH 7.4): 4.07; (5)ACD/BCF (pH 5.5): 726.51; (6)ACD/BCF (pH 7.4): 725.07; (7)ACD/KOC (pH 5.5): 3887.54; (8)ACD/KOC (pH 7.4): 3879.85; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 51.58 cm3; (15)Molar Volume: 170.2 cm3; (16)Polarizability: 20.44×10-24 cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 0.964 g/cm3; (19)Flash Point: 136.2 °C; (20)Enthalpy of Vaporization: 52.36 kJ/mol; (21)Boiling Point: 265.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00561 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC1=CC(=CC=C1)O
(2)InChI: InChI=1S/C11H16O/c1-2-3-4-6-10-7-5-8-11(12)9-10/h5,7-9,12H,2-4,6H2,1H3
(3)InChIKey: LWZQGUMHXPGQAF-UHFFFAOYSA-N