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Molecule
Chlorocyclopentane
CAS: 930-28-9 · C5H9Cl
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 930-28-9
- Molecular Formula
- C5H9Cl
- Molecular Mass
- 104.58 g/mol
Identifiers
CAS Registry Number
930-28-9
SMILES
ClC1CCCC1
InChI Key
NDTCXABJQNJPCF-UHFFFAOYSA-N
InChI
InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2
Names and Synonyms
- Chlorocyclopentane Synonym
- Cyclopentane, chloro- Synonym
- Chlorocyclopentane Synonym
- Cyclopentyl chloride Synonym
- NSC 16930 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.58 g/mol | CAS Common Chemistry |
| 104.58000000000001 g/mol | RDKit | |
| 104.577 g/mol | chempirical lib | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.0051 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 114 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NDTCXABJQNJPCF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 309-376 °C (decomp) | CAS Common Chemistry |
| Name | Chlorocyclopentane | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | 2.1677999999999997 | RDKit |
| 2.1678 | RDKit | |
| Molar Refractivity | 28.108999999999988 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 104.039277968 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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Quick conversion
MW = 104.58 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H9Cl.
