- InChI
- InChI=1S/C9H19O3P/c1-3-13(10,11-2)12-9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
- InChI Key
- AUJSOZMLPGLDLR-UHFFFAOYSA-N
- Formula
- C9H19O3P
- SMILES
- CCP(=O)(OC)OC1CCCCC1
- Molecular Weight1
- 206.22
- CAS
- 170275-49-7
- Other Names
-
- Ethylphosphonic acid, cyclohexyl methyl ester
- Cyclohexyl ethylphosphonate, methylated
- 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 | 0.4646 | Relay (... Calculated Property | |
| ΔfG° | -263.28 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -680.57 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 74.04 | kJ/mol | Relay (... Calculated Property |
| IE | 9.68 | eV | Relay (... Calculated Property |
| log10WS | -1.32 | Relay (... Calculated Property | |
| logPoct/wat | 3.195 | Crippen Calculated Property | |
| McVol | 164.880 | ml/mol | McGowan Calculated Property |
| Pc | 2423.98 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 545.44 | K | Relay (... Calculated Property |
| Tc | 721.09 | K | Relay (... Calculated Property |
| Tfus | 243.33 | K | Relay (... Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexyl methyl ethylphosphonate.
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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