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Diisopropyl Succinate
CAS: 924-88-9 | C10H18O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
924-88-9
Molecular Formula:
C10H18O4
Molecular Mass:
202.25 g/mol
Names and Synonyms:
Diisopropyl Succinate
Butanedioic acid, 1,4-bis(1-methylethyl) ester
Succinic acid, diisopropyl ester
Butanedioic acid, bis(1-methylethyl) ester
Diisopropyl succinate
Identifiers:
SMILES:
CC(C)OC(=O)CCC(=O)OC(C)C
InChI:
InChI=1S/C10H18O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h7-8H,5-6H2,1-4H3
Key Properties
Boiling Point
210 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
263.0 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.25 g/mol | CAS Common Chemistry |
| 202.120509056 g/mol | RDKit | |
| Boiling Point | 210 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC(C)C)CCC(=O)OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h7-8H,5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YPLYFEUBZLLLIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 263.0 °C | CAS Common Chemistry |
| Name | Diisopropyl succinate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| LogP | 1.6698 | RDKit |
| Molar Refractivity | 51.69000000000004 | RDKit |
