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5451-96-7

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Basic Information
CAS No.: 5451-96-7
Name: nonyl chloroacetate
Molecular Structure:
Molecular Structure of 5451-96-7 (nonyl chloroacetate)
Formula: C11H21ClO2
Molecular Weight: 220.74
Synonyms: Aceticacid, chloro-, nonyl ester (7CI,8CI,9CI);1-Nonyl chloroacetate;NSC 21882;Nonyl chloroacetate;n-Nonyl chloroacetate;
Density: 0.981 g/cm3
Boiling Point: 259.7 °C at 760 mmHg
Flash Point: 136.2 °C
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Specification

The Acetic acid, 2-chloro-,nonyl ester with CAS registry number of 5451-96-7 is also known as Aceticacid, chloro-, nonyl ester (7CI,8CI,9CI). The systematic name is Nonyl chloroacetate. In addition, the formula is C11H21ClO2 and the molecular weight is 220.74.

Physical properties about Acetic acid, 2-chloro-,nonyl ester are: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 26.3Å2; (7)Index of Refraction: 1.442; (8)Molar Refractivity: 59.63 cm3; (9)Molar Volume: 224.9 cm3; (10)Polarizability: 23.64×10-24cm3; (11)Surface Tension: 31.4 dyne/cm; (12)Density: 0.981 g/cm3; (13)Flash Point: 136.2 °C; (14)Enthalpy of Vaporization: 49.74 kJ/mol; (15)Boiling Point: 259.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0127 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: ClCC(=O)OCCCCCCCCC
2. InChI: InChI=1/C11H21ClO2/c1-2-3-4-5-6-7-8-9-14-11(13)10-12/h2-10H2,1H3
3. InChIKey: OKWGMWNSHCOYJE-UHFFFAOYAW
4. Std. InChI: InChI=1S/C11H21ClO2/c1-2-3-4-5-6-7-8-9-14-11(13)10-12/h2-10H2,1H3
5. Std. InChIKey: OKWGMWNSHCOYJE-UHFFFAOYSA-N