- InChI
- InChI=1S/C12H14INO/c1-8-5-6-11(10(13)7-8)14-12(15)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,14,15)
- InChI Key
- AOLMIWAXRMATOU-UHFFFAOYSA-N
- Formula
- C12H14INO
- SMILES
- Cc1ccc(NC(=O)C2CCC2)c(I)c1
- Molecular Weight1
- 315.15
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 210.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 6.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 3.338 | Crippen Calculated Property | |
| McVol | 182.690 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [2160.00; 2160.00] |
|
|
| Inp | 2160.00 | NIST | |
| Inp | 2160.00 | NIST | |
| Tboil | 718.79 | K | Joback Calculated Property |
| Tc | 976.72 | K | Joback Calculated Property |
| Tfus | 451.53 | K | Joback Calculated Property |
| Vc | 0.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.17; 525.52] | J/mol×K | [718.79; 976.72] |
|
| Cp,gas | 455.17 | J/mol×K | 718.79 | Joback Calculated Property |
| Cp,gas | 469.44 | J/mol×K | 761.78 | Joback Calculated Property |
| Cp,gas | 482.55 | J/mol×K | 804.77 | Joback Calculated Property |
| Cp,gas | 494.61 | J/mol×K | 847.75 | Joback Calculated Property |
| Cp,gas | 505.73 | J/mol×K | 890.74 | Joback Calculated Property |
| Cp,gas | 515.99 | J/mol×K | 933.73 | Joback Calculated Property |
| Cp,gas | 525.52 | J/mol×K | 976.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxamide, N-(2-iodo-4-methylphenyl)-.
Sources
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