- InChI
- InChI=1S/C10H9IO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-7H,1H3/b7-6+
- InChI Key
- VXNAUKLNYVAOKD-VOTSOKGWSA-N
- Formula
- C10H9IO
- SMILES
- CC(=O)C=Cc1ccccc1I
- Molecular Weight1
- 272.08
- CAS
- 76293-36-2
- Other Names
-
- o-Iodobenzalacetone
- E)-4-(2-Iodophenyl)but-3-en-2-one
- 4-(2-Iodophenyl)but-3-en-2-one
- 2-Iodo-benzalacetone
- 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° | 145.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 56.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.87 | kJ/mol | Joback Calculated Property |
| IE | [8.30; 8.60] | eV |
|
| IE | 8.60 ± 0.05 | eV | NIST |
| IE | 8.30 | eV | NIST |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 2.893 | Crippen Calculated Property | |
| McVol | 151.090 | ml/mol | McGowan Calculated Property |
| Pc | 3195.54 | kPa | Joback Calculated Property |
| Tboil | 611.03 | K | Joback Calculated Property |
| Tc | 868.38 | K | Joback Calculated Property |
| Tfus | 344.31 | K | Joback Calculated Property |
| Vc | 0.561 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.29; 360.58] | J/mol×K | [611.03; 868.38] |
|
| Cp,gas | 303.29 | J/mol×K | 611.03 | Joback Calculated Property |
| Cp,gas | 314.98 | J/mol×K | 653.92 | Joback Calculated Property |
| Cp,gas | 325.70 | J/mol×K | 696.81 | Joback Calculated Property |
| Cp,gas | 335.53 | J/mol×K | 739.71 | Joback Calculated Property |
| Cp,gas | 344.56 | J/mol×K | 782.60 | Joback Calculated Property |
| Cp,gas | 352.88 | J/mol×K | 825.49 | Joback Calculated Property |
| Cp,gas | 360.58 | J/mol×K | 868.38 | Joback Calculated Property |
| η | [0.0002268; 0.0022563] | Pa×s | [344.31; 611.03] |
|
| η | 0.0022563 | Pa×s | 344.31 | Joback Calculated Property |
| η | 0.0012361 | Pa×s | 388.76 | Joback Calculated Property |
| η | 0.0007662 | Pa×s | 433.22 | Joback Calculated Property |
| η | 0.0005191 | Pa×s | 477.67 | Joback Calculated Property |
| η | 0.0003758 | Pa×s | 522.12 | Joback Calculated Property |
| η | 0.0002863 | Pa×s | 566.58 | Joback Calculated Property |
| η | 0.0002268 | Pa×s | 611.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-2-one, 4-(2-iodophenyl)-.
Sources
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