(E)-Oct-4-ene-1,8-dioic acid supplier

Name
(E)-Oct-4-ene-1,8-dioic acid
EINECS
CAS No. 48059-97-8
Article Data24
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point 175-176 °C
Formula C₈H₁₂O₄
Boiling Point 373.11 °C at 760 mmHg
Molecular Weight 172.181
Flash Point 193.63 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Octenedioicacid, (E)-;(4E)-oct-4-enedioic acid;4-octenedioic acid, (4E)-;Oct-4-enedioic acid;(E)-Oct-4-ene-1,8-dioic acid;
PSA 74.60000
LogP 1.27220

(E)-Oct-4-ene-1,8-dioic acid Specification

The (E)-Oct-4-ene-1,8-dioic acid, with the CAS registry number 48059-97-8, has the systematic name of (4E)-oct-4-enedioic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₁₂O₄.

The characteristics of (E)-Oct-4-ene-1,8-dioic acid are as followings: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 74.6 Å²; (11)Index of Refraction: 1.501; (12)Molar Refractivity: 42.299 cm³; (13)Molar Volume: 143.455 cm³; (14)Polarizability: 16.769×10^-24cm³; (15)Surface Tension: 49.876 dyne/cm; (16)Density: 1.2 g/cm³; (17)Flash Point: 193.63 °C; (18)Enthalpy of Vaporization: 68.121 kJ/mol; (19)Boiling Point: 373.11 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)CC\C=C\CCC(O)=O
(2)InChI: InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1+
(3)InChIKey: LQVYKEXVMZXOAH-OWOJBTEDBN

Product Name

(E)-Oct-4-ene-1,8-dioic acid

(E)-Oct-4-ene-1,8-dioic acid Specification

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