- InChI
- InChI=1S/C15H22INO/c1-3-4-5-6-7-8-15(18)17-14-10-9-12(2)11-13(14)16/h9-11H,3-8H2,1-2H3,(H,17,18)
- InChI Key
- XEWHNRADDVXZAF-UHFFFAOYSA-N
- Formula
- C15H22INO
- SMILES
- CCCCCCCC(=O)Nc1ccc(C)cc1I
- Molecular Weight1
- 359.25
- 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 | 0.7604 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.899 | Crippen Calculated Property | |
| McVol | 235.820 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| Inp | [2427.00; 2427.00] |
|
|
| Inp | 2427.00 | NIST | |
| Inp | 2427.00 | NIST | |
| Tboil | 629.10 | K | Relay (1.0) Calculated Property |
| Tc | 883.90 | K | Relay (1.0) Calculated Property |
| Tfus | 348.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.830 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.87; 703.41] | J/mol×K | [776.42; 999.04] |
|
| Cp,gas | 628.87 | J/mol×K | 776.42 | Joback Calculated Property |
| Cp,gas | 643.52 | J/mol×K | 813.52 | Joback Calculated Property |
| Cp,gas | 657.20 | J/mol×K | 850.63 | Joback Calculated Property |
| Cp,gas | 669.97 | J/mol×K | 887.73 | Joback Calculated Property |
| Cp,gas | 681.90 | J/mol×K | 924.83 | Joback Calculated Property |
| Cp,gas | 693.02 | J/mol×K | 961.94 | Joback Calculated Property |
| Cp,gas | 703.41 | J/mol×K | 999.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanamide, N-(2-iodo-4-methylphenyl)-.
Sources
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