- InChI
- InChI=1S/C10H17O4P/c1-4-7-8-9-10(11)15(12,13-5-2)14-6-3/h4,7-9H,5-6H2,1-3H3/b7-4+,9-8+
- InChI Key
- KNBCPMPGYVYQRT-NUXDXBQRSA-N
- Formula
- C10H17O4P
- SMILES
- CC=CC=CC(=O)P(=O)(OCC)OCC
- Molecular Weight1
- 232.21
- CAS
- 109844-00-0
- 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 | 0.5150 | Relay (1.0) Calculated Property | |
| ΔfG° | -362.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -681.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.911 | Crippen Calculated Property | |
| McVol | 182.800 | ml/mol | McGowan Calculated Property |
| Pc | 2083.96 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 541.80 | K | Relay (1.0) Calculated Property |
| Tc | 692.03 | K | Relay (1.0) Calculated Property |
| Tfus | 300.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonic acid, 2,4-hexadienoyl-, diethyl 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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