Back to Search
Molecule
1,5-Dichloropentane
CAS: 628-76-2 · C5H10Cl2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 628-76-2
- Molecular Formula
- C5H10Cl2
- Molecular Mass
- 141.04 g/mol
Identifiers
CAS Registry Number
628-76-2
SMILES
ClCCCCCCl
InChI Key
LBKDGROORAKTLC-UHFFFAOYSA-N
InChI
InChI=1S/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H2
Names and Synonyms
- 1,5-Dichloropentane Synonym
- Pentane, 1,5-dichloro- Synonym
- 1,5-Dichloropentane Synonym
- Pentamethylene chloride Synonym
- NSC 6210 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.04 g/mol | CAS Common Chemistry |
| 141.041 g/mol | RDKit | |
| 141.035 g/mol | chempirical lib | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.208 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 179 °C | CAS Common Chemistry |
| Canonical SMILES | ClCCCCCCl | CAS Common Chemistry |
| InChI | InChI=1S/C5H10Cl2/c6-4-2-1-3-5-7/h1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LBKDGROORAKTLC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -72.8 °C | CAS Common Chemistry |
| Name | 1,5-Dichloropentane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.6343000000000014 | RDKit |
| 2.6343 | RDKit | |
| Molar Refractivity | 35.291000000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 140.01595568 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 141.04 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10Cl2.
