- InChI
- InChI=1S/C16H16INO/c1-3-12-5-7-13(8-6-12)16(19)18-15-9-4-11(2)10-14(15)17/h4-10H,3H2,1-2H3,(H,18,19)
- InChI Key
- SAKWCZALYGHLBO-UHFFFAOYSA-N
- Formula
- C16H16INO
- SMILES
- CCc1ccc(C(=O)Nc2ccc(C)cc2I)cc1
- Molecular Weight1
- 365.21
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.6809 | Relay (1.0) Calculated Property | |
| ΔfG° | 298.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.414 | Crippen Calculated Property | |
| McVol | 226.150 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Inp | 2687.00 | NIST | |
| Tboil | 659.14 | K | Relay (1.0) Calculated Property |
| Tc | 964.04 | K | Relay (1.0) Calculated Property |
| Tfus | 407.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.780 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [587.84; 652.26] | J/mol×K | [830.96; 1089.23] | 
|
| Cp,gas | 587.84 | J/mol×K | 830.96 | Joback Calculated Property |
| Cp,gas | 601.07 | J/mol×K | 874.00 | Joback Calculated Property |
| Cp,gas | 613.18 | J/mol×K | 917.05 | Joback Calculated Property |
| Cp,gas | 624.26 | J/mol×K | 960.09 | Joback Calculated Property |
| Cp,gas | 634.40 | J/mol×K | 1003.14 | Joback Calculated Property |
| Cp,gas | 643.70 | J/mol×K | 1046.18 | Joback Calculated Property |
| Cp,gas | 652.26 | J/mol×K | 1089.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(2-iodo-4-methylphenyl)-4-ethyl-.
Sources
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