2,5-Heptanedione supplier | CasNO.1703-51-1

Name
2,5-Heptanedione
EINECS
CAS No. 1703-51-1
Article Data4
CAS DataBase
Density 0.926 g/cm³
Solubility
Melting Point
Formula C₇H₁₂O₂
Boiling Point 208.3 °C at 760 mmHg
Molecular Weight 128.171
Flash Point 74.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-HEPTANEDIONE;Heptan-2,5-dione;heptane-2,5-dione
PSA 34.14000
LogP 1.33470

2,5-Heptanedione Specification

The 2,5-Heptanedione, with CAS registry number 1703-51-1, has the systematic name of heptane-2,5-dione. Besides this, it is also called 2,5-Heptanedione. Its molecular weight is 128.169. And the chemical formula of this chemical is C₇H₁₂O₂.

Physical properties of 2,5-Heptanedione: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.05; (8)ACD/KOC (pH 7.4): 33.05; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 34.53 cm³; (15)Molar Volume: 138.3 cm³; (16)Polarizability: 13.69×10^-24cm³; (17)Surface Tension: 28.9 dyne/cm; (18)Density: 0.926 g/cm³; (19)Flash Point: 74.3 °C; (20)Enthalpy of Vaporization: 44.45 kJ/mol; (21)Boiling Point: 208.3 °C at 760 mmHg; (22)Vapour Pressure: 0.216 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)CCC(=O)CC
(2)InChI: InChI=1/C7H12O2/c1-3-7(9)5-4-6(2)8/h3-5H2,1-2H3
(3)InChIKey: HGRGPAAXHOTBAM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H12O2/c1-3-7(9)5-4-6(2)8/h3-5H2,1-2H3
(5)Std. InChIKey: HGRGPAAXHOTBAM-UHFFFAOYSA-N

Product Name

2,5-Heptanedione

2,5-Heptanedione Specification

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