- InChI
- InChI=1S/C17H13F3INO/c1-11-5-7-15(14(21)9-11)22-16(23)8-6-12-3-2-4-13(10-12)17(18,19)20/h2-10H,1H3,(H,22,23)/b8-6+
- InChI Key
- ICFOMNUAVOZDPE-SOFGYWHQSA-N
- Formula
- C17H13F3INO
- SMILES
-
Cc1ccc(N=C(O)C=Cc2cccc(C(F)(F)
F)c2)c(I)c1 - Molecular Weight1
- 431.19
- 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 | 0.7890 | Relay (1.0) Calculated Property | |
| ΔfG° | -325.41 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -543.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 114.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.920 | Crippen Calculated Property | |
| McVol | 241.250 | ml/mol | McGowan Calculated Property |
| Pc | 1846.75 | kPa | Joback Calculated Property |
| Inp | [2700.00; 2700.00] |
|
|
| Inp | 2700.00 | NIST | |
| Inp | 2700.00 | NIST | |
| Tboil | 673.35 | K | Relay (1.0) Calculated Property |
| Tc | 931.92 | K | Relay (1.0) Calculated Property |
| Tfus | 419.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.794 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to trans-Cinnamamide, N-(2-iodo-4-methylphenyl)-3-trifluoromethyl-.
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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