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95636-02-5

Basic Information
CAS No.: 95636-02-5
Name: trans-8-Methyl-6-nonenoyl chloride
Article Data: 9
Molecular Structure:
Molecular Structure of 95636-02-5 (trans-8-Methyl-6-nonenoyl chloride)
Formula: C10H17ClO
Molecular Weight: 188.697
Synonyms: 6-Nonenoylchloride, 8-methyl-, (E)-;(E)-8-Methylnon-6-enoyl chloride;8-Methylnon-trans-6-enoic acid chloride;
Density: 0.962 g/cm3
Boiling Point: 237.6 °C at 760 mmHg
Flash Point: 100.9 °C
Appearance: COLORLESS TO YELLOW LIQUID
Hazard Symbols: IrritantXi
Risk Codes: 36/38
Safety: 26
PSA: 17.07000
LogP: 3.52440
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Specification

The trans-8-Methyl-6-nonenoyl chloride is an organic compound with the formula C10H17ClO. The IUPAC name of this chemical is (E)-8-methylnon-6-enoyl chloride. With the CAS registry number 95636-02-5, it is also named as 8-Methyl-6-nonenoyl chloride. The product's categories are Acid Halides; Carbonyl Compounds; Organic Building Blocks. Besides, it should be stored in a closed cool and dry place.

Physical properties about trans-8-Methyl-6-nonenoyl chloride are: (1)ACD/LogP: 4.08; (2)ACD/LogD (pH 5.5): 4.07; (3)ACD/LogD (pH 7.4): 4.07; (4)ACD/BCF (pH 5.5): 735.63; (5)ACD/BCF (pH 7.4): 735.63; (6)ACD/KOC (pH 5.5): 3922.44; (7)ACD/KOC (pH 7.4): 3922.44; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.455; (12)Molar Refractivity: 53.27 cm3; (13)Molar Volume: 196 cm3; (14)Polarizability: 21.11×10-24cm3; (15)Surface Tension: 29.7 dyne/cm; (16)Density: 0.962 g/cm3; (17)Flash Point: 100.9 °C; (18)Enthalpy of Vaporization: 47.44 kJ/mol; (19)Boiling Point: 237.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0444 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)CCCC/C=C/C(C)C
(2)InChI: InChI=1/C10H17ClO/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3/b7-5+
(3)InChIKey: JDZRIGWDAPNYLT-FNORWQNLBU
(4)Std. InChI: InChI=1S/C10H17ClO/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3/b7-5+
(5)Std. InChIKey: JDZRIGWDAPNYLT-FNORWQNLSA-N