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(2E,4E)-2,4-Decadienoic acid

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Name

(2E,4E)-2,4-Decadienoic acid

EINECS 250-149-2
CAS No. 30361-33-2 Density 0.958 g/cm3
PSA 37.30000 LogP 2.76370
Solubility N/A Melting Point 49.5°C
Formula C10H16O2 Boiling Point 293.6 °C at 760 mmHg
Molecular Weight 168.236 Flash Point 199.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 30361-33-2 ((2E,4E)-2,4-Decadienoic acid) Hazard Symbols N/A
Synonyms

2,4-Decadienoicacid, (E,E)- (8CI);2,4-Decadienoic acid, trans-2,trans-4- (5CI);(2E,4E)-2,4-Decadienoic acid;(E,E)-2,4-Decadienoic acid;2(E),4(E)-Decadienoicacid;2-trans,4-trans-Decadienoic acid;trans-2-trans-4-Decadienoic acid;(2E,4E)-Deca-2,4-dienoic acid;2,4-decadienoic acid, (2E,4E)-;

Article Data 27

(2E,4E)-2,4-Decadienoic acid Specification

The (2E,4E)-2,4-Decadienoic acid, with the CAS registry number 30361-33-2 and EINECS registry number 250-149-2, has the systematic name and IUPAC name of (2E,4E)-deca-2,4-dienoic acid. And the molecular formula of the chemical is C10H16O2.

The characteristics of (2E,4E)-2,4-Decadienoic acid are as followings: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 29.73; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 213.9; (8)ACD/KOC (pH 7.4): 3.36; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 50.05 cm3; (15)Molar Volume: 175.4 cm3; (16)Polarizability: 19.84×10-24cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 0.958 g/cm3; (19)Flash Point: 199.4 °C; (20)Enthalpy of Vaporization: 58.65 kJ/mol; (21)Boiling Point: 293.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00042 mmHg at 25°C.   

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)\C=C\C=C\CCCCC
(2)InChI: InChI=1/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6+,9-8+
(3)InChIKey: YKHVVNDSWHSBPA-BLHCBFLLBD

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