Heptanedioic acid, 4,4-dimethyl- supplier

Name
4,4-dimethylheptanedioic acid
EINECS
CAS No. 5325-75-7
Density 1.131 g/cm³
Solubility
Melting Point
Formula C₉H₁₆O₄
Boiling Point 354.7 °C at 760 mmHg
Molecular Weight 188.224
Flash Point 182.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC210;4,4'-Dimethyl-1,7-heptanedioic acid;
PSA
LogP

Heptanedioic acid, 4,4-dimethyl- Specification

The Heptanedioic acid, 4,4-dimethyl-, with the CAS registry number 5325-75-7, is also known as 4,4'-Dimethyl-1,7-heptanedioic acid. This chemical's molecular formula is C₉H₁₆O₄and molecular weight is 188.2209. What's more, both its IUPAC name and systematic name are the same which is called 4,4-Dimethylheptanedioic acid.

Physical properties about Heptanedioic acid, 4,4-dimethyl- are: (1)ACD/LogP: 0.97; (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): 1.88; (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: 52.6 Å²; (11)Index of Refraction: 1.474; (12)Molar Refractivity: 46.83 cm³; (13)Molar Volume: 166.3 cm³; (14)Polarizability: 18.56×10^-24cm³; (15)Surface Tension: 44.1 dyne/cm; (16)Density: 1.131 g/cm³; (17)Flash Point: 182.5 °C; (18)Enthalpy of Vaporization: 65.9 kJ/mol; (19)Boiling Point: 354.7 °C at 760 mmHg; (20)Vapour Pressure: 5.49E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC(CCC(=O)O)(C)C
(2)InChI: InChI=1/C9H16O4/c1-9(2,5-3-7(10)11)6-4-8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)
(3)InChIKey: YDUOHBXBLZGANF-UHFFFAOYAW

Product Name

4,4-dimethylheptanedioic acid

Heptanedioic acid, 4,4-dimethyl- Specification

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