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Molecule
Dibutyl Phosphite
CAS: 1809-19-4 · C8H19O3P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1809-19-4
- Molecular Formula
- C8H19O3P
- Molecular Mass
- 194.21 g/mol
Identifiers
CAS Registry Number
1809-19-4
SMILES
CCCCO[PH](=O)OCCCC
InChI Key
NFJPGAKRJKLOJK-UHFFFAOYSA-N
InChI
InChI=1S/C8H19O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h12H,3-8H2,1-2H3
Names and Synonyms
- Dibutyl Phosphite Synonym
- Phosphonic acid, dibutyl ester Synonym
- Butyl phosphite ((C4H9O)2(HO)P) Synonym
- Butyl phosphonate ((BuO)2HPO) Synonym
- Dibutyl phosphite Synonym
- Dibutyl phosphonate Synonym
- Di-n-butyl hydrogen phosphite Synonym
- Phosphorous acid, dibutyl ester Synonym
- Dibutyl hydrogen phosphite Synonym
- Butyl alcohol, hydrogen phosphite Synonym
- Dibutoxyphosphine oxide Synonym
- Butyl phosphonate ((C4H9O)2HPO) Synonym
- DBP 1 Synonym
- Di-n-butyl phosphite Synonym
- NSC 2668 Synonym
- Duraphos DBHP Synonym
- T 304 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.21 g/mol | CAS Common Chemistry |
| 194.21099999999996 g/mol | RDKit | |
| 194.211 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9860 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=P(OCCCC)OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H19O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h12H,3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NFJPGAKRJKLOJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70.5 °C | CAS Common Chemistry |
| Name | Dibutyl phosphite | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 3.009500000000002 | RDKit |
| 3.0095 | RDKit | |
| 2.92 | chempirical lib | |
| Molar Refractivity | 50.72150000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 194.10718109799998 g/mol | RDKit |
| Boiling Point | 95 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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 = 194.21 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H19O3P.
