5,7-Dodecadiynedioicacid supplier

Name
5,7-DODECADIYNEDIOIC ACID
EINECS
CAS No. 28393-04-6
Article Data5
CAS DataBase
Density 1.217 g/cm³
Solubility
Melting Point 142 °C
Formula C₁₂H₁₄O₄
Boiling Point 494.6 °C at 760 mmHg
Molecular Weight 222.241
Flash Point 267 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5,7-DODECADIYNEDIOIC ACID;5,7-DODECADIYNDIOIC ACID;TIMTEC-BB SBB008729;5,7-DODECADIYNEDIOIC ACID 98%
PSA 74.60000
LogP 1.50300

5,7-Dodecadiynedioicacid Specification

The 5,7-Dodecadiynedioicacid, with CAS registry number 28393-04-6, has the systematic name of dodeca-5,7-diynedioic acid. Its molecular weight is 222.24. And the chemical formula of this chemical is C₁₂H₁₄O₄. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of 5,7-Dodecadiynedioicacid: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): -2.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.29; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 56.78 cm³; (15)Molar Volume: 182.4 cm³; (16)Polarizability: 22.51×10^-24cm³; (17)Surface Tension: 60.7 dyne/cm; (18)Density: 1.217 g/cm³; (19)Flash Point: 267 °C; (20)Enthalpy of Vaporization: 83.43 kJ/mol; (21)Boiling Point: 494.6 °C at 760 mmHg; (22)Vapour Pressure: 3.94E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCC#CC#CCCCC(=O)O
(2)InChI: InChI=1/C12H14O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h5-10H2,(H,13,14)(H,15,16)
(3)InChIKey: SVCWXPPYJQWHRS-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H14O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h5-10H2,(H,13,14)(H,15,16)
(5)Std. InChIKey: SVCWXPPYJQWHRS-UHFFFAOYSA-N

Product Name

5,7-DODECADIYNEDIOIC ACID

5,7-Dodecadiynedioicacid Specification

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