![Benzoic acid, p-[(3-amino-2-oxopropyl)amino]-, ethyl ester, oxime](/cid/60-018-5/Benzoic-acid-p-3-amino-2-oxopropyl-amino-ethyl-ester-oxime.png "Benzoic acid, p-[(3-amino-2-oxopropyl)amino]-, ethyl ester, oxime")
- InChI
- InChI=1S/C12H17N3O3/c1-2-18-12(16)9-3-5-10(6-4-9)14-8-11(7-13)15-17/h3-6,14,17H,2,7-8,13H2,1H3/b15-11+
- InChI Key
- RXTNMLUPCVQUKL-RVDMUPIBSA-N
- Formula
- C12H17N3O3
- SMILES
- CCOC(=O)c1ccc(NCC(CN)=NO)cc1
- Molecular Weight1
- 251.28
- CAS
- 23852-97-3
- 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 | 0.9117 | Relay (1.0) Calculated Property | |
| ΔfG° | 46.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -296.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.064 | Crippen Calculated Property | |
| McVol | 195.130 | ml/mol | McGowan Calculated Property |
| Pc | 2640.67 | kPa | Joback Calculated Property |
| Tboil | 655.15 | K | Relay (1.0) Calculated Property |
| Tc | 883.92 | K | Relay (1.0) Calculated Property |
| Tfus | 435.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, p-[(3-amino-2-oxopropyl)amino]-, ethyl ester, oxime.
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
- Joback Method
- McGowan Method
- NIST Webbook
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