- InChI
- InChI=1S/C11H12INO3/c1-7-3-4-10(9(12)5-7)13-11(15)6-16-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)
- InChI Key
- KOZRCZQJHRNZSB-UHFFFAOYSA-N
- Formula
- C11H12INO3
- SMILES
- CC(=O)OCC(=O)Nc1ccc(C)cc1I
- Molecular Weight1
- 333.12
- 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 | 0.6539 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -405.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.101 | Crippen Calculated Property | |
| McVol | 186.900 | ml/mol | McGowan Calculated Property |
| Pc | 2850.52 | kPa | Joback Calculated Property |
| Inp | [2123.00; 2123.00] |
|
|
| Inp | 2123.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Tboil | 610.22 | K | Relay (1.0) Calculated Property |
| Tc | 864.58 | K | Relay (1.0) Calculated Property |
| Tfus | 408.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.47; 505.12] | J/mol×K | [761.19; 1001.85] |
|
| Cp,gas | 452.47 | J/mol×K | 761.19 | Joback Calculated Property |
| Cp,gas | 463.38 | J/mol×K | 801.30 | Joback Calculated Property |
| Cp,gas | 473.41 | J/mol×K | 841.41 | Joback Calculated Property |
| Cp,gas | 482.56 | J/mol×K | 881.52 | Joback Calculated Property |
| Cp,gas | 490.88 | J/mol×K | 921.63 | Joback Calculated Property |
| Cp,gas | 498.39 | J/mol×K | 961.74 | Joback Calculated Property |
| Cp,gas | 505.12 | J/mol×K | 1001.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(2-iodo-4-methylphenyl)-2-acetoxy-.
Sources
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