- InChI
- InChI=1S/C8H7IO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
- InChI Key
- IWLHOUBDKCKJJQ-UHFFFAOYSA-N
- Formula
- C8H7IO
- SMILES
- CC(=O)c1cccc(I)c1
- Molecular Weight1
- 246.05
- CAS
- 14452-30-3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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° | 48.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -19.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.46 | kJ/mol | Joback Calculated Property |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 2.494 | Crippen Calculated Property | |
| McVol | 127.210 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Tboil | 561.11 | K | Joback Calculated Property |
| Tc | 818.40 | K | Joback Calculated Property |
| Tfus | 326.85 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.58; 285.66] | J/mol×K | [561.11; 818.40] | 
|
| Cp,gas | 234.58 | J/mol×K | 561.11 | Joback Calculated Property |
| Cp,gas | 245.01 | J/mol×K | 603.99 | Joback Calculated Property |
| Cp,gas | 254.61 | J/mol×K | 646.87 | Joback Calculated Property |
| Cp,gas | 263.42 | J/mol×K | 689.76 | Joback Calculated Property |
| Cp,gas | 271.49 | J/mol×K | 732.64 | Joback Calculated Property |
| Cp,gas | 278.89 | J/mol×K | 775.52 | Joback Calculated Property |
| Cp,gas | 285.66 | J/mol×K | 818.40 | Joback Calculated Property |
| η | [0.0003232; 0.0026506] | Pa×s | [326.85; 561.11] |
|
| η | 0.0026506 | Pa×s | 326.85 | Joback Calculated Property |
| η | 0.0015479 | Pa×s | 365.89 | Joback Calculated Property |
| η | 0.0010028 | Pa×s | 404.94 | Joback Calculated Property |
| η | 0.0007012 | Pa×s | 443.98 | Joback Calculated Property |
| η | 0.0005195 | Pa×s | 483.02 | Joback Calculated Property |
| η | 0.0004025 | Pa×s | 522.07 | Joback Calculated Property |
| η | 0.0003232 | Pa×s | 561.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(3-iodophenyl)-.
Sources
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