- InChI
- InChI=1S/C10H9ClO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-7H,1H3/b7-6+
- InChI Key
- FHDSETHROOWFCQ-VOTSOKGWSA-N
- Formula
- C10H9ClO
- SMILES
- CC(=O)C=Cc1ccccc1Cl
- Molecular Weight1
- 180.63
- CAS
- 20766-37-4
- Other Names
-
- 3-Buten-2-one, 4-(o-chlorophenyl)-
- o-Chlorobenzalacetone
- 4-(2-Chlorophenyl)-but-3-en-2-one
- (o-Chlorobenzylidene)acetone
- 4-(2-Chlorophenyl)-3-buten-2-one
- 2-Chloro-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° | 75.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -35.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.88 | kJ/mol | Joback Calculated Property |
| IE | [8.80; 8.80] | eV |
|
| IE | 8.80 | eV | NIST |
| IE | 8.80 | eV | NIST |
| IE | 8.80 ± 0.10 | eV | NIST |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 2.942 | Crippen Calculated Property | |
| McVol | 137.510 | ml/mol | McGowan Calculated Property |
| Pc | 3142.03 | kPa | Joback Calculated Property |
| Tboil | 555.32 | K | Joback Calculated Property |
| Tc | 786.44 | K | Joback Calculated Property |
| Tfus | 316.17 | K | Joback Calculated Property |
| Vc | 0.522 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.35; 343.91] | J/mol×K | [555.32; 786.44] |
|
| Cp,gas | 283.35 | J/mol×K | 555.32 | Joback Calculated Property |
| Cp,gas | 295.44 | J/mol×K | 593.84 | Joback Calculated Property |
| Cp,gas | 306.65 | J/mol×K | 632.36 | Joback Calculated Property |
| Cp,gas | 317.05 | J/mol×K | 670.88 | Joback Calculated Property |
| Cp,gas | 326.69 | J/mol×K | 709.40 | Joback Calculated Property |
| Cp,gas | 335.63 | J/mol×K | 747.92 | Joback Calculated Property |
| Cp,gas | 343.91 | J/mol×K | 786.44 | Joback Calculated Property |
| η | [0.0002193; 0.0020142] | Pa×s | [316.17; 555.32] |
|
| η | 0.0020142 | Pa×s | 316.17 | Joback Calculated Property |
| η | 0.0011317 | Pa×s | 356.03 | Joback Calculated Property |
| η | 0.0007142 | Pa×s | 395.89 | Joback Calculated Property |
| η | 0.0004903 | Pa×s | 435.75 | Joback Calculated Property |
| η | 0.0003585 | Pa×s | 475.60 | Joback Calculated Property |
| η | 0.0002751 | Pa×s | 515.46 | Joback Calculated Property |
| η | 0.0002193 | Pa×s | 555.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-2-one, 4-(2-chlorophenyl)-.
Sources
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