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Polyisoprene
CAS: 9003-31-0 | C5H8
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
9003-31-0
Molecular Formula:
C5H8
Molecular Mass:
68.12 g/mol
Names and Synonyms:
Polyisoprene
1,3-Butadiene, 2-methyl-, homopolymer
Isoprene, polymers
Polyisoprene
Isoprene polymer
Betaprene H
Isoprene D
Isoprene oligomer
Poly(2-methyl-1,3-butadiene)
Isoprene homopolymer
Poly(2-methylbutadiene)
Poly(isopentadiene)
PIP (polyisoprene)
PIP
JSR-LIR 20000
KM 4K1
TR 301
LIR 15
Revultex Lan 960
LIR 20000
JSR-PIP 2
H 07-119-04
2-Methyl-1,3-butadiene homopolymer
KL 10
Sepolex IR 100H
Identifiers:
SMILES:
C=CC(=C)C
InChI:
InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
Key Properties
Melting Point
64 °C
CAS Common Chemistry
Density
0.96 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 | 68.12 g/mol | CAS Common Chemistry |
| 68.119 g/mol | RDKit | |
| 68.062600256 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.96 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | C=CC(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RRHGJUQNOFWUDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 64 °C | CAS Common Chemistry |
| Name | Polyisoprene | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.7485 | RDKit |
| Molar Refractivity | 25.01099999999999 | RDKit |
