- InChI
- InChI=1S/C11H14INO/c1-3-4-11(14)13-10-6-5-8(2)7-9(10)12/h5-7H,3-4H2,1-2H3,(H,13,14)
- InChI Key
- IBNLKTMCQORLLV-UHFFFAOYSA-N
- Formula
- C11H14INO
- SMILES
- CCCC(=O)Nc1ccc(C)cc1I
- Molecular Weight1
- 303.14
- 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 | 0.5974 | Relay (1.0) Calculated Property | |
| ΔfG° | 153.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -125.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.338 | Crippen Calculated Property | |
| McVol | 179.460 | ml/mol | McGowan Calculated Property |
| Pc | 2715.50 | kPa | Joback Calculated Property |
| Inp | 1978.00 | NIST | |
| Tboil | 594.79 | K | Relay (1.0) Calculated Property |
| Tc | 849.16 | K | Relay (1.0) Calculated Property |
| Tfus | 370.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.615 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.40; 482.35] | J/mol×K | [684.90; 923.86] | 
|
| Cp,gas | 418.40 | J/mol×K | 684.90 | Joback Calculated Property |
| Cp,gas | 431.16 | J/mol×K | 724.73 | Joback Calculated Property |
| Cp,gas | 443.00 | J/mol×K | 764.55 | Joback Calculated Property |
| Cp,gas | 453.99 | J/mol×K | 804.38 | Joback Calculated Property |
| Cp,gas | 464.18 | J/mol×K | 844.21 | Joback Calculated Property |
| Cp,gas | 473.62 | J/mol×K | 884.03 | Joback Calculated Property |
| Cp,gas | 482.35 | J/mol×K | 923.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanamide, N-(2-iodo-4-methylphenyl)-.
Sources
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