Di-isononyl-cyclohexane-1,2-dicarboxylate

• CAS: 166412-78-8
• Catalog Number: ACM166412788
• Category: Other Products
• Molecular Weight: 424.7g/mol
• Molecular Formula: C26H48O4
• Synonyms: Di-isononyl-cyclohexane-1,2-dicarboxylate;1,2-CYCLOHEXYLDICARBOXYLICACID,DIISONONYLESTER;Diisononyl 1,2-cyclohexanedicarboxylate;Diisononyl hexahydrophthalate;Dinch;Hexamoll dinch;1,2-Cyclohexanedicarboxylic acid diisononyl ester;Di-isononyl-cyclohex
• IUPAC Name: bis(7-methyloctyl) cyclohexane-1,2-dicarboxylate
• SMILES: CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C
• InChI: InChI=1S/C26H48O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h21-24H,5-20H2,1-4H3
• InChI Key: HORIEOQXBKUKGQ-UHFFFAOYSA-N
• Boiling Point: 394 °C
• Flash Point: 224 °C (COC)
• Density: Specific gravity slightly less than 1
• Solubility: In water, 8.8X10-6 mg/L at 25 °C (est);Iin water, <0.02 mg/L
• Color/Form: Colorless liquid
• Complexity: 416
• Covalently-Bonded Unit Count: 1
• EC Number: 605-439-7
• Exact Mass: 424.35526g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 30
• LogP: log Kow = 9.82 (est)
• Monoisotopic Mass: 424.35526g/mol
• Odor: Odorless
• Other Experimental: VP: 1.2X10-7 mm Hg;Henry's Law constant = 7.06X10-5 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.07X10-11 cu cm/molec-sec at 25 °C (est)
• Rotatable Bond Count: 18
• UNII: H26MNT7GT7
• Vapor Pressure: 9.62X10-7 mm Hg at 25 °C (est)
• XLogP3: 8.9

Custom Q&A

What is the molecular formula of Di-isononyl-cyclohexane-1,2-dicarboxylate?

The molecular formula is C26H48O4.

What is the molecular weight of Di-isononyl-cyclohexane-1,2-dicarboxylate?

The molecular weight is 424.7 g/mol.

What are some synonyms for Di-isononyl-cyclohexane-1,2-dicarboxylate?

Some synonyms include Bis(7-methyloctyl) Cyclohexane-1,2-dicarboxylate and Diisononyl hexahydrophthalate.

When was Di-isononyl-cyclohexane-1,2-dicarboxylate created in PubChem?

It was created on October 26, 2006.

What is the InChIKey of Di-isononyl-cyclohexane-1,2-dicarboxylate?

The InChIKey is HORIEOQXBKUKGQ-UHFFFAOYSA-N.

What is the Canonical SMILES representation of Di-isononyl-cyclohexane-1,2-dicarboxylate?

The Canonical SMILES is CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C.

How many hydrogen bond acceptor counts does Di-isononyl-cyclohexane-1,2-dicarboxylate have?

It has 4 hydrogen bond acceptor counts.

What is the XLogP3-AA value of Di-isononyl-cyclohexane-1,2-dicarboxylate?

The XLogP3-AA value is 8.9.

What is the heavy atom count of Di-isononyl-cyclohexane-1,2-dicarboxylate?

The heavy atom count is 30.

How many rotatable bond counts does Di-isononyl-cyclohexane-1,2-dicarboxylate have?

It has 18 rotatable bond counts.