- InChI
- InChI=1S/C14H18INO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
- InChI Key
- QTDQOWUBHZMOQZ-UHFFFAOYSA-N
- Formula
- C14H18INO
- SMILES
- Cc1ccc(NC(=O)C2CCCCC2)c(I)c1
- Molecular Weight1
- 343.20
- 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 | 0.5692 | Relay (... Calculated Property | |
| ΔfG° | 203.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -136.27 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.41 | kJ/mol | Relay (... Calculated Property |
| IE | 7.98 | eV | Relay (... Calculated Property |
| log10WS | -4.64 | Relay (... Calculated Property | |
| logPoct/wat | 4.118 | Crippen Calculated Property | |
| McVol | 210.870 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Inp | 2390.00 | NIST | |
| Tboil | 643.55 | K | Relay (... Calculated Property |
| Tc | 924.62 | K | Relay (... Calculated Property |
| Tfus | 394.84 | K | Relay (... Calculated Property |
| Vc | 0.707 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.78; 645.12] | J/mol×K | [773.09; 1035.07] | 
|
| Cp,gas | 566.78 | J/mol×K | 773.09 | Joback Calculated Property |
| Cp,gas | 583.17 | J/mol×K | 816.75 | Joback Calculated Property |
| Cp,gas | 598.10 | J/mol×K | 860.42 | Joback Calculated Property |
| Cp,gas | 611.67 | J/mol×K | 904.08 | Joback Calculated Property |
| Cp,gas | 623.97 | J/mol×K | 947.74 | Joback Calculated Property |
| Cp,gas | 635.09 | J/mol×K | 991.40 | Joback Calculated Property |
| Cp,gas | 645.12 | J/mol×K | 1035.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxamide, N-(2-iodo-4-methylphenyl)-.
Sources
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