- InChI
- InChI=1S/C13H16INO/c1-9-6-7-12(11(14)8-9)15-13(16)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
- InChI Key
- LMOBJRHCFDRLDT-UHFFFAOYSA-N
- Formula
- C13H16INO
- SMILES
- Cc1ccc(NC(=O)C2CCCC2)c(I)c1
- Molecular Weight1
- 329.18
- 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 | 0.5677 | Relay (... Calculated Property | |
| ΔfG° | 206.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -108.30 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.01 | kJ/mol | Relay (... Calculated Property |
| IE | 8.01 | eV | Relay (... Calculated Property |
| log10WS | -4.37 | Relay (... Calculated Property | |
| logPoct/wat | 3.728 | Crippen Calculated Property | |
| McVol | 196.780 | ml/mol | McGowan Calculated Property |
| Pc | 2681.86 | kPa | Joback Calculated Property |
| Inp | [2276.00; 2276.00] |
|
|
| Inp | 2276.00 | NIST | |
| Inp | 2276.00 | NIST | |
| Tboil | 630.21 | K | Relay (... Calculated Property |
| Tc | 913.05 | K | Relay (... Calculated Property |
| Tfus | 387.37 | K | Relay (... Calculated Property |
| Vc | 0.666 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.07; 585.10] | J/mol×K | [745.94; 1005.97] |
|
| Cp,gas | 510.07 | J/mol×K | 745.94 | Joback Calculated Property |
| Cp,gas | 525.49 | J/mol×K | 789.28 | Joback Calculated Property |
| Cp,gas | 539.62 | J/mol×K | 832.62 | Joback Calculated Property |
| Cp,gas | 552.54 | J/mol×K | 875.96 | Joback Calculated Property |
| Cp,gas | 564.37 | J/mol×K | 919.30 | Joback Calculated Property |
| Cp,gas | 575.18 | J/mol×K | 962.63 | Joback Calculated Property |
| Cp,gas | 585.10 | J/mol×K | 1005.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxamide, N-(2-iodo-4-methylphenyl)-.
Sources
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