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Molecule
Trans-2-Butene
CAS: 624-64-6 · C4H8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 624-64-6
- Molecular Formula
- C4H8
- Molecular Mass
- 56.11 g/mol
Identifiers
CAS Registry Number
624-64-6
SMILES
C/C=C/C
InChI Key
IAQRGUVFOMOMEM-ONEGZZNKSA-N
InChI
InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+
Names and Synonyms
- Trans-2-Butene Synonym
- 2-Butene, (2E)- Synonym
- 2-Butene, (E)- Synonym
- 2-Butene, trans- Synonym
- (2E)-2-Butene Synonym
- trans-2-Butene Synonym
- 2-trans-Butylene Synonym
- trans-1,2-Dimethylethylene Synonym
- trans-Butene Synonym
- (E)-2-Butene Synonym
- 2-trans-Butene Synonym
- β-trans-Butylene Synonym
- trans-butene-2 Synonym
- trans-2-Butylene Synonym
- (E)-2-Butene Synonym
- E-Butene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 56.11 g/mol | CAS Common Chemistry |
| 56.108000000000004 g/mol | RDKit | |
| 56.108 g/mol | RDKit | |
| Density | 0.60 g/cm³ | CAS Common Chemistry |
| 0.599 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | C(=CC)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+ | CAS Common Chemistry |
| InChI Key | InChIKey=IAQRGUVFOMOMEM-ONEGZZNKSA-N | CAS Common Chemistry |
| Melting Point | -105.5 °C | CAS Common Chemistry |
| Name | trans-2-Butene | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.5824 | RDKit |
| 1.45 | chempirical lib | |
| Molar Refractivity | 20.487999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 56.062600255999996 g/mol | RDKit |
| Boiling Point | 0.8 °C @ 760 Torr | CAS Common Chemistry |
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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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 = 56.11 g/mol; density = 0.600 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8.
