- InChI
- InChI=1S/C8H5I2NO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,1H3
- InChI Key
- LDZMXYUHLHAQAY-UHFFFAOYSA-N
- Formula
- C8H5I2NO
- SMILES
- COc1c(I)cc(C#N)cc1I
- Molecular Weight1
- 384.94
- CAS
- 3336-40-1
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 244.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 180.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.30 | kJ/mol | Joback Calculated Property |
| log10WS | -4.24 | Crippen Calculated Property | |
| logPoct/wat | 2.776 | Crippen Calculated Property | |
| McVol | 158.710 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| Inp | 1956.50 | NIST | |
| Tboil | 734.84 | K | Joback Calculated Property |
| Tc | 1023.87 | K | Joback Calculated Property |
| Tfus | 447.24 | K | Joback Calculated Property |
| Vc | 0.596 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.19; 319.87] | J/mol×K | [734.84; 1023.87] | 
|
| Cp,gas | 285.19 | J/mol×K | 734.84 | Joback Calculated Property |
| Cp,gas | 292.44 | J/mol×K | 783.01 | Joback Calculated Property |
| Cp,gas | 299.05 | J/mol×K | 831.18 | Joback Calculated Property |
| Cp,gas | 305.06 | J/mol×K | 879.36 | Joback Calculated Property |
| Cp,gas | 310.51 | J/mol×K | 927.53 | Joback Calculated Property |
| Cp,gas | 315.43 | J/mol×K | 975.70 | Joback Calculated Property |
| Cp,gas | 319.87 | J/mol×K | 1023.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ioxynil-methyl.
Sources
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