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Molecule
Polybutylene Succinate
CAS: 25777-14-4 · C8H16O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 25777-14-4
- Molecular Formula
- C8H16O6
- Molecular Mass
- 208.21 g/mol
Identifiers
CAS Registry Number
25777-14-4
SMILES
O=C(O)CCC(=O)O.OCCCCO
InChI Key
FQINETJTVSEXPE-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O4.C4H10O2/c5-3(6)1-2-4(7)8;5-3-1-2-4-6/h1-2H2,(H,5,6)(H,7,8);5-6H,1-4H2
Names and Synonyms
- Polybutylene Succinate Synonym
- Butanedioic acid, polymer with 1,4-butanediol Synonym
- Succinic acid, polyester with 1,4-butanediol Synonym
- 1,4-Butanediol, polyester with succinic acid Synonym
- 1,4-Butanediol, polymer with butanedioic acid Synonym
- Poly(tetramethylene succinate) Synonym
- 1,4-Butanediol-succinic acid polymer Synonym
- 1,4-Butanediol-succinic acid copolymer Synonym
- 1,4-Butylene glycol-succinic acid copolymer Synonym
- Butylene glycol-succinic acid copolymer Synonym
- Succinic acid-1,4-butanediol copolymer Synonym
- Butanedioic acid-1,4-butanediol copolymer Synonym
- 1,4-Butanedioic acid-1,4-butanediol copolymer Synonym
- Succinic acid-butylene glycol copolymer Synonym
- 1,4-Butanediol-1,4-butanedioic acid copolymer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 208.21 g/mol | CAS Common Chemistry |
| 208.20999999999995 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Polybutylene_succinate | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCC(=O)O.OCCCCO | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O4.C4H10O2/c5-3(6)1-2-4(7)8;5-3-1-2-4-6/h1-2H2,(H,5,6)(H,7,8);5-6H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FQINETJTVSEXPE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110-115 °C | CAS Common Chemistry |
| Name | Butanedioic acid, polymer with 1,4-butanediol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 115.06 Ų | RDKit |
| LogP | -0.3130000000000001 | RDKit |
| -0.313 | RDKit | |
| Molar Refractivity | 47.91120000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 208.094688232 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 208.21 g/mol. Edit any field — others recompute live.
