- InChI
- InChI=1S/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3
- InChI Key
- KWMBADTWRIGGGG-UHFFFAOYSA-N
- Formula
- C6H12NO3P
- SMILES
- CCOP(=O)(CC#N)OCC
- Molecular Weight1
- 177.14
- CAS
- 2537-48-6
- Other Names
-
- Diethylphosphonoacetonitrile
- Phosphonic acid, (cyanomethyl)-, diethyl ester
- (Cyanomethyl)diethoxyphosphine oxide
- Cyanomethanephosphonic acid, diethyl ester
- Diethyl cyanomethanephosphonate
- 2-(Diethylphosphonyl)acetonitrile
- 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 | 0.5345 | Relay (... Calculated Property | |
| ΔfG° | -201.99 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -494.26 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 71.19 | kJ/mol | Relay (... Calculated Property |
| IE | 10.44 | eV | Relay (... Calculated Property |
| log10WS | 0.06 | Relay (... Calculated Property | |
| logPoct/wat | 1.776 | Crippen Calculated Property | |
| McVol | 134.850 | ml/mol | McGowan Calculated Property |
| Pc | 2557.05 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 543.77 | K | Relay (... Calculated Property |
| Tc | 678.26 | K | Relay (... Calculated Property |
| Tfus | 287.07 | K | Relay (... Calculated Property |
| Vc | 0.502 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl cyanomethylphosphonate.
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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