- InChI
- InChI=1S/C9H9ClINO/c1-6-2-3-8(7(11)4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
- InChI Key
- LFRNCVLQAZNXIS-UHFFFAOYSA-N
- Formula
- C9H9ClINO
- SMILES
- Cc1ccc(NC(=O)CCl)c(I)c1
- Molecular Weight1
- 309.53
- 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 | 0.5621 | Relay (1.0) Calculated Property | |
| ΔfG° | 124.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.777 | Crippen Calculated Property | |
| McVol | 163.520 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Inp | 1920.00 | NIST | |
| Tboil | 601.70 | K | Relay (1.0) Calculated Property |
| Tc | 881.78 | K | Relay (1.0) Calculated Property |
| Tfus | 389.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.538 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.25; 392.32] | J/mol×K | [676.57; 928.74] | 
|
| Cp,gas | 342.25 | J/mol×K | 676.57 | Joback Calculated Property |
| Cp,gas | 352.46 | J/mol×K | 718.60 | Joback Calculated Property |
| Cp,gas | 361.85 | J/mol×K | 760.63 | Joback Calculated Property |
| Cp,gas | 370.48 | J/mol×K | 802.66 | Joback Calculated Property |
| Cp,gas | 378.40 | J/mol×K | 844.69 | Joback Calculated Property |
| Cp,gas | 385.66 | J/mol×K | 886.72 | Joback Calculated Property |
| Cp,gas | 392.32 | J/mol×K | 928.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(2-iodo-4-methylphenyl)-2-chloro-.
Sources
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