Products Categories
CAS No.: | 48059-97-8 |
---|---|
Name: | (E)-Oct-4-ene-1,8-dioic acid |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C8H12O4 |
Molecular Weight: | 172.181 |
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; |
Density: | 1.2 g/cm3 |
Melting Point: | 175-176 °C |
Boiling Point: | 373.11 °C at 760 mmHg |
Flash Point: | 193.63 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36 |
Safety: | 26 |
PSA: | 74.60000 |
LogP: | 1.27220 |
What can I do for you?
Get Best Price
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