- InChI
- InChI=1S/C8H7IO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- CREOHKRPSSUXCW-UHFFFAOYSA-N
- Formula
- C8H7IO
- SMILES
- O=C(CI)c1ccccc1
- Molecular Weight1
- 246.05
- CAS
- 4636-16-2
- 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).
- 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).
- 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° | 58.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -7.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.80 | kJ/mol | Joback Calculated Property |
| IE | 9.21 | eV | NIST |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.304 | Crippen Calculated Property | |
| McVol | 127.210 | ml/mol | McGowan Calculated Property |
| Pc | 3838.78 | kPa | Joback Calculated Property |
| Tboil | 556.13 | K | Joback Calculated Property |
| Tc | 812.26 | K | Joback Calculated Property |
| Tfus | 314.33 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.63; 287.85] | J/mol×K | [556.13; 812.26] | 
|
| Cp,gas | 235.63 | J/mol×K | 556.13 | Joback Calculated Property |
| Cp,gas | 246.43 | J/mol×K | 598.82 | Joback Calculated Property |
| Cp,gas | 256.29 | J/mol×K | 641.51 | Joback Calculated Property |
| Cp,gas | 265.30 | J/mol×K | 684.19 | Joback Calculated Property |
| Cp,gas | 273.52 | J/mol×K | 726.88 | Joback Calculated Property |
| Cp,gas | 281.02 | J/mol×K | 769.57 | Joback Calculated Property |
| Cp,gas | 287.85 | J/mol×K | 812.26 | Joback Calculated Property |
| η | [0.0003312; 0.0034716] | Pa×s | [314.33; 556.13] |
|
| η | 0.0034716 | Pa×s | 314.33 | Joback Calculated Property |
| η | 0.0018785 | Pa×s | 354.63 | Joback Calculated Property |
| η | 0.0011522 | Pa×s | 394.93 | Joback Calculated Property |
| η | 0.0007737 | Pa×s | 435.23 | Joback Calculated Property |
| η | 0.0005558 | Pa×s | 475.53 | Joback Calculated Property |
| η | 0.0004204 | Pa×s | 515.83 | Joback Calculated Property |
| η | 0.0003312 | Pa×s | 556.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 2-iodo-1-phenyl-.
Sources
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