- InChI
- InChI=1S/C18H22N2O2/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,20)
- InChI Key
- QXDAEKSDNVPFJG-UHFFFAOYSA-N
- Formula
- C18H22N2O2
- SMILES
-
CCOc1ccc(N=C(C)Nc2ccc(OCC)cc2)
cc1 - Molecular Weight1
- 298.38
- CAS
- 101-93-9
- Other Names
-
- Acetamidine, N,N'-bis(p-ethoxyphenyl)-
- N,N'-Bis(p-ethoxyphenyl)acetamidine
- N',N
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.8113 | Relay (1.0) Calculated Property | |
| ΔfG° | 165.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -144.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 6.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.646 | Crippen Calculated Property | |
| McVol | 244.360 | ml/mol | McGowan Calculated Property |
| Pc | 1686.56 | kPa | Joback Calculated Property |
| Inp | [2546.00; 2546.00] |
|
|
| Inp | 2546.00 | NIST | |
| Inp | 2546.00 | NIST | |
| Inp | 2546.00 | NIST | |
| Tboil | 669.01 | K | Relay (1.0) Calculated Property |
| Tc | 923.60 | K | Relay (1.0) Calculated Property |
| Tfus | 413.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.892 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Phenacaine.
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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