- InChI
- InChI=1S/C16H18NO4P/c17-16(18)13-22(19,20-11-14-7-3-1-4-8-14)21-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,17,18)
- InChI Key
- MLSSAYAOIBJWSS-UHFFFAOYSA-N
- Formula
- C16H18NO4P
- SMILES
-
N=C(O)CP(=O)(OCc1ccccc1)OCc1cc
ccc1 - Molecular Weight1
- 319.29
- CAS
- 101288-23-7
- 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 | 0.9097 | Relay (1.0) Calculated Property | |
| ΔfG° | -137.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -521.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 128.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.148 | Crippen Calculated Property | |
| McVol | 238.400 | ml/mol | McGowan Calculated Property |
| Pc | 2304.42 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 674.48 | K | Relay (1.0) Calculated Property |
| Tc | 963.76 | K | Relay (1.0) Calculated Property |
| Tfus | 387.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.839 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phosphonic acid, (carbamoylmethyl)-, dibenzyl 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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