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Diallyl Phthalate
CAS: 131-17-9 | C14H14O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
131-17-9
Molecular Formula:
C14H14O4
Molecular Mass:
246.26 g/mol
Names and Synonyms:
Diallyl Phthalate
1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester
Phthalic acid, diallyl ester
1,2-Benzenedicarboxylic acid, di-2-propenyl ester
Dapon R
Diallyl phthalate
Allyl phthalate
Dappu
DAP-M
DT 170
DAP Monomer
Dap Tohto DT 170
NSC 7667
Daiso DAP monomer
KY 5200
DAP
Monoplex DAP
DCP-A
Identifiers:
SMILES:
C=CCOC(=O)c1ccccc1C(=O)OCC=C
InChI:
InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
Key Properties
Boiling Point
158-165 °C @ Press: 4 Torr
CAS Common Chemistry
Melting Point
-70 °C
CAS Common Chemistry
Density
1.12 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 | 246.26 g/mol | CAS Common Chemistry |
| 246.26199999999994 g/mol | RDKit | |
| 246.089208928 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.120 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 158-165 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC=C)C=1C=CC=CC1C(=O)OCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QUDWYFHPNIMBFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -70 °C | CAS Common Chemistry |
| Name | Diallyl phthalate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| LogP | 2.3722000000000003 | RDKit |
| Molar Refractivity | 67.40100000000002 | RDKit |
