- InChI
- InChI=1S/C12H14INO/c1-8(2)6-12(15)14-11-5-4-9(3)7-10(11)13/h4-7H,1-3H3,(H,14,15)
- InChI Key
- BYSKACWESUBYER-UHFFFAOYSA-N
- Formula
- C12H14INO
- SMILES
- CC(C)=CC(=O)Nc1ccc(C)cc1I
- Molecular Weight1
- 315.15
- 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 | 0.5747 | Relay (1.0) Calculated Property | |
| ΔfG° | 233.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -46.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.504 | Crippen Calculated Property | |
| McVol | 189.250 | ml/mol | McGowan Calculated Property |
| Pc | 2608.40 | kPa | Joback Calculated Property |
| Inp | 2107.00 | NIST | |
| Tboil | 600.93 | K | Relay (1.0) Calculated Property |
| Tc | 873.02 | K | Relay (1.0) Calculated Property |
| Tfus | 414.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.99; 509.74] | J/mol×K | [711.82; 959.53] | 
|
| Cp,gas | 444.99 | J/mol×K | 711.82 | Joback Calculated Property |
| Cp,gas | 457.86 | J/mol×K | 753.11 | Joback Calculated Property |
| Cp,gas | 469.79 | J/mol×K | 794.39 | Joback Calculated Property |
| Cp,gas | 480.85 | J/mol×K | 835.68 | Joback Calculated Property |
| Cp,gas | 491.15 | J/mol×K | 876.96 | Joback Calculated Property |
| Cp,gas | 500.75 | J/mol×K | 918.25 | Joback Calculated Property |
| Cp,gas | 509.74 | J/mol×K | 959.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenamide, N-(2-iodo-4-methylphenyl)-3-methyl-.
Sources
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