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936-89-0

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Basic Information
CAS No.: 936-89-0
Name: 2,4-diethylphenol
Article Data: 15
Molecular Structure:
Molecular Structure of 936-89-0 (2,4-diethylphenol)
Formula: C10H14O
Molecular Weight: 150.221
Synonyms: 2,4-Diethylphenol;
EINECS: 213-318-1
Density: 0.978g/cm3
Melting Point: 46.81°C (estimate)
Boiling Point: 237.7 °C at 760 mmHg
Flash Point: 106.2 °C
PSA: 20.23000
LogP: 2.51700
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  • Phenol,2,4-diethyl-

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    936-89-0

    Phenol,2,4-diethyl-

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  • 2,4-DIETHYLPHENOL

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    936-89-0

    2,4-DIETHYLPHENOL

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    2,4-DIETHYLPHENOLAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Phenol,2,4-diethyl-, with CAS registry number 936-89-0, has the systematic name of 2,4-diethylphenol. Its molecular weight is 150.21756. And the chemical formula of this chemical is C10H14O. What's more, its EINECS is 213-318-1.

Physical properties of Phenol,2,4-diethyl-: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 253.08; (6)ACD/BCF (pH 7.4): 252.93; (7)ACD/KOC (pH 5.5): 1827.49; (8)ACD/KOC (pH 7.4): 1826.39; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 47.23 cm3; (15)Molar Volume: 153.4 cm3; (16)Polarizability: 18.72×10-24cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 0.978 g/cm3; (19)Flash Point: 106.2 °C; (20)Enthalpy of Vaporization: 49.38 kJ/mol; (21)Boiling Point: 237.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0286 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1CC)CC
(2)InChI: InChI=1/C10H14O/c1-3-8-5-6-10(11)9(4-2)7-8/h5-7,11H,3-4H2,1-2H3
(3)InChIKey: LMLAXOBGXCTWBJ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H14O/c1-3-8-5-6-10(11)9(4-2)7-8/h5-7,11H,3-4H2,1-2H3
(5)Std. InChIKey: LMLAXOBGXCTWBJ-UHFFFAOYSA-N