Back to Search
Diethyl Succinate
CAS: 123-25-1 | C8H14O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
123-25-1
Molecular Formula:
C8H14O4
Molecular Mass:
174.20 g/mol
Names and Synonyms:
Diethyl Succinate
Butanedioic acid, 1,4-diethyl ester
Succinic acid, diethyl ester
Butanedioic acid, diethyl ester
Diethyl succinate
Ethyl succinate
Clorius
Diethyl butanedioate
NSC 8875
Butandioic acid diethyl ester
DESU
1,4-Diethyl butanedioate
Diethyl 1,2-ethanedicarboxylate
Identifiers:
SMILES:
CCOC(=O)CCC(=O)OCC
InChI:
InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
Key Properties
Boiling Point
217.7 °C
CAS Common Chemistry
Melting Point
-21 °C
CAS Common Chemistry
Density
1.04 g/cm³
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 | 174.20 g/mol | CAS Common Chemistry |
| 174.19599999999997 g/mol | RDKit | |
| 174.089208928 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.041 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diethyl_succinate | CAS Common Chemistry |
| Boiling Point | 217.7 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)CCC(=O)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DKMROQRQHGEIOW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -21 °C | CAS Common Chemistry |
| Name | Diethyl succinate | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 0.8927999999999999 | RDKit |
| Molar Refractivity | 42.500000000000014 | RDKit |
