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1917-95-9

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Basic Information
CAS No.: 1917-95-9
Name: hexyl 2,4-dichlorophenoxyacetate
Article Data: 1
Molecular Structure:
Molecular Structure of 1917-95-9 (hexyl 2,4-dichlorophenoxyacetate)
Formula: C14H18Cl2O3
Molecular Weight: 305.201
Synonyms: hexyl 2,4-dichlorophenoxyacetate;(2,4-Dichlorophenoxy)acetic acid hexyl ester
EINECS: 217-633-5
Density: 1.19 g/cm3
Boiling Point: 373.3 °C at 760 mmHg
Flash Point: 136.2 °C
Solubility: 5.924mg/L(temperature not stated)
PSA: 35.53000
LogP: 4.49570
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Specification

The Acetic acid,2-(2,4-dichlorophenoxy)-, hexyl ester with CAS registry number of 1917-95-9 is also known as 2,4-D Hexyl ester. The systematic name is Hexyl 2,4-dichlorophenoxyacetate. Its EINECS registry number is 217-633-5. In addition, the formula is C14H18Cl2O3 and the molecular weight is 305.20.

Physical properties about Acetic acid,2-(2,4-dichlorophenoxy)-, hexyl ester are: (1)ACD/LogP: 5.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.31; (4)ACD/LogD (pH 7.4): 5.31; (5)ACD/BCF (pH 5.5): 6386.88; (6)ACD/BCF (pH 7.4): 6386.88; (7)ACD/KOC (pH 5.5): 18425.43; (8)ACD/KOC (pH 7.4): 18425.43; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 35.53Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 76.92 cm3; (15)Molar Volume: 256.3 cm3; (16)Polarizability: 30.49×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 136.2 °C; (20)Enthalpy of Vaporization: 62.06 kJ/mol; (21)Boiling Point: 373.3 °C at 760 mmHg; (22)Vapour Pressure: 9.03E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: Clc1cc(Cl)ccc1OCC(=O)OCCCCCC
2. InChI: InChI=1/C14H18Cl2O3/c1-2-3-4-5-8-18-14(17)10-19-13-7-6-11(15)9-12(13)16/h6-7,9H,2-5,8,10H2,1H3
3. InChIKey: OXMFKAXXVZLYAE-UHFFFAOYAA
4. Std. InChI: InChI=1S/C14H18Cl2O3/c1-2-3-4-5-8-18-14(17)10-19-13-7-6-11(15)9-12(13)16/h6-7,9H,2-5,8,10H2,1H3
5. Std. InChIKey: OXMFKAXXVZLYAE-UHFFFAOYSA-N