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818-04-2

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Basic Information
CAS No.: 818-04-2
Name: Diisopentyl succinate
Article Data: 6
Molecular Structure:
Molecular Structure of 818-04-2 (Diisopentyl succinate)
Formula: C14H26 O4
Molecular Weight: 258.358
Synonyms: Butanedioicacid, bis(3-methylbutyl) ester (9CI); Succinic acid, diisopentyl ester (8CI);Diisoamyl succinate; Diisopentyl succinate
EINECS: 212-448-6
Density: 0.966g/cm3
Boiling Point: 281.1°C at 760 mmHg
Flash Point: 122.6°C
PSA: 52.60000
LogP: 2.94520
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Chemistry

Molecular Structure of Diisopentyl succinate (CAS NO.818-04-2):

IUPAC Name: Bis(3-methylbutyl) butanedioate
Canonical SMILES: CC(C)CCOC(=O)CCC(=O)OCCC(C)C
InChI: InChI=1S/C14H26O4/c1-11(2)7-9-17-13(15)5-6-14(16)18-10-8-12(3)4/h11-12H,5-10H2,1-4H3
InChIKey: VITLQDOBPXWZLH-UHFFFAOYSA-N
Molecular Weight: 258.35384 [g/mol]
Molecular Formula: C14H26O4
XLogP3: 3.7
H-Bond Donor: 0
H-Bond Acceptor: 4
Rotatable Bond Count: 11
Exact Mass: 258.183109
MonoIsotopic Mass: 258.183109
Topological Polar Surface Area: 52.6
Heavy Atom Count: 18
Complexity: 220
Index of Refraction: 1.439
Molar Refractivity: 70.37 cm3
Molar Volume: 267.3 cm3
Surface Tension: 31.5 dyne/cm
Density: 0.966 g/cm3
Flash Point: 122.6 °C
Enthalpy of Vaporization: 51.99 kJ/mol
Boiling Point: 281.1 °C at 760 mmHg
Vapour Pressure: 0.00364 mmHg at 25 °C

Specification

 Diisopentyl succinate (CAS NO.818-04-2), its Synonyms are Butanedioic acid, bis(3-methylbutyl) ester ; Di(2-methylbutyl) succinate ; Succinic acid diisopentyl ester ; Bis(3-methylbutyl) butanedioate .