- InChI
- InChI=1S/C12H16INO/c1-3-4-5-12(15)14-11-7-6-9(2)8-10(11)13/h6-8H,3-5H2,1-2H3,(H,14,15)
- InChI Key
- JETUZJGSOPXQPU-UHFFFAOYSA-N
- Formula
- C12H16INO
- SMILES
- CCCCC(=O)Nc1ccc(C)cc1I
- Molecular Weight1
- 317.17
- 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° | 161.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -59.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.46 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 3.728 | Crippen Calculated Property | |
| McVol | 193.550 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Inp | 2096.00 | NIST | |
| Tboil | 707.78 | K | Joback Calculated Property |
| Tc | 941.98 | K | Joback Calculated Property |
| Tfus | 437.11 | K | Joback Calculated Property |
| Vc | 0.729 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.14; 536.37] | J/mol×K | [707.78; 941.98] | 
|
| Cp,gas | 469.14 | J/mol×K | 707.78 | Joback Calculated Property |
| Cp,gas | 482.49 | J/mol×K | 746.81 | Joback Calculated Property |
| Cp,gas | 494.91 | J/mol×K | 785.85 | Joback Calculated Property |
| Cp,gas | 506.45 | J/mol×K | 824.88 | Joback Calculated Property |
| Cp,gas | 517.17 | J/mol×K | 863.92 | Joback Calculated Property |
| Cp,gas | 527.13 | J/mol×K | 902.95 | Joback Calculated Property |
| Cp,gas | 536.37 | J/mol×K | 941.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-(2-iodo-4-methylphenyl)-.
Sources
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