- InChI
- InChI=1S/C9H7F3INO/c1-5-2-3-7(6(13)4-5)14-8(15)9(10,11)12/h2-4H,1H3,(H,14,15)
- InChI Key
- DZNFDYLOBOIWCO-UHFFFAOYSA-N
- Formula
- C9H7F3INO
- SMILES
- Cc1ccc(NC(=O)C(F)(F)F)c(I)c1
- Molecular Weight1
- 329.06
- 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 | 0.4703 | Relay (1.0) Calculated Property | |
| ΔfG° | -444.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -660.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.100 | Crippen Calculated Property | |
| McVol | 156.590 | ml/mol | McGowan Calculated Property |
| Pc | 2944.08 | kPa | Joback Calculated Property |
| Inp | 1518.00 | NIST | |
| Tboil | 538.73 | K | Relay (1.0) Calculated Property |
| Tc | 754.87 | K | Relay (1.0) Calculated Property |
| Tfus | 381.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.42; 397.55] | J/mol×K | [633.72; 862.60] | 
|
| Cp,gas | 349.42 | J/mol×K | 633.72 | Joback Calculated Property |
| Cp,gas | 359.32 | J/mol×K | 671.87 | Joback Calculated Property |
| Cp,gas | 368.38 | J/mol×K | 710.01 | Joback Calculated Property |
| Cp,gas | 376.66 | J/mol×K | 748.16 | Joback Calculated Property |
| Cp,gas | 384.24 | J/mol×K | 786.30 | Joback Calculated Property |
| Cp,gas | 391.18 | J/mol×K | 824.45 | Joback Calculated Property |
| Cp,gas | 397.55 | J/mol×K | 862.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-(2-iodo-4-methylphenyl)-2,2,2-trifluoro-.
Sources
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