- InChI
- InChI=1S/C13H27O5P/c1-5-7-9-17-19(15,18-10-8-6-2)11-12(3)13(14)16-4/h12H,5-11H2,1-4H3
- InChI Key
- FRMUDADDWKVTFZ-UHFFFAOYSA-N
- Formula
- C13H27O5P
- SMILES
- CCCCOP(=O)(CC(C)C(=O)OC)OCCCC
- Molecular Weight1
- 294.32
- CAS
- 116595-33-6
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7447 | Relay (... Calculated Property | |
| ΔfG° | -518.67 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1099.80 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 83.16 | kJ/mol | Relay (... Calculated Property |
| IE | 9.56 | eV | Relay (... Calculated Property |
| log10WS | -2.24 | Relay (... Calculated Property | |
| logPoct/wat | 3.622 | Crippen Calculated Property | |
| McVol | 239.540 | ml/mol | McGowan Calculated Property |
| Pc | 1696.60 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 568.27 | K | Relay (... Calculated Property |
| Tc | 728.28 | K | Relay (... Calculated Property |
| Tfus | 223.64 | K | Relay (... Calculated Property |
| Vc | 0.891 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyric acid, 3-dibutoxyphosphinyl, methyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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