- InChI
- InChI=1S/C10H10Cl2O/c11-6-9(7-12)10(13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
- InChI Key
- SJJAYVWBFICAEB-UHFFFAOYSA-N
- Formula
- C10H10Cl2O
- SMILES
- O=C(c1ccccc1)C(CCl)CCl
- Molecular Weight1
- 217.09
- Other Names
-
- 3-chloro-2-(chloromethyl)-1-phenylpropan-1-one
- 1-Phenyl-3-chloro-2-(chloromethyl)-1-propanone
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4890 | Relay (1.0) Calculated Property | |
| ΔfG° | -9.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.963 | Crippen Calculated Property | |
| McVol | 154.050 | ml/mol | McGowan Calculated Property |
| Pc | 2921.84 | kPa | Joback Calculated Property |
| Inp | [1600.00; 1600.00] |
|
|
| Inp | 1600.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Tboil | 555.44 | K | Relay (1.0) Calculated Property |
| Tc | 799.66 | K | Relay (1.0) Calculated Property |
| Tfus | 339.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.60; 390.52] | J/mol×K | [583.17; 811.98] |
|
| Cp,gas | 328.60 | J/mol×K | 583.17 | Joback Calculated Property |
| Cp,gas | 341.03 | J/mol×K | 621.30 | Joback Calculated Property |
| Cp,gas | 352.56 | J/mol×K | 659.44 | Joback Calculated Property |
| Cp,gas | 363.22 | J/mol×K | 697.57 | Joback Calculated Property |
| Cp,gas | 373.07 | J/mol×K | 735.71 | Joback Calculated Property |
| Cp,gas | 382.15 | J/mol×K | 773.84 | Joback Calculated Property |
| Cp,gas | 390.52 | J/mol×K | 811.98 | Joback Calculated Property |
| η | [0.0002412; 0.0033436] | Pa×s | [323.65; 583.17] |
|
| η | 0.0033436 | Pa×s | 323.65 | Joback Calculated Property |
| η | 0.0016662 | Pa×s | 366.90 | Joback Calculated Property |
| η | 0.0009617 | Pa×s | 410.16 | Joback Calculated Property |
| η | 0.0006165 | Pa×s | 453.41 | Joback Calculated Property |
| η | 0.0004270 | Pa×s | 496.66 | Joback Calculated Property |
| η | 0.0003137 | Pa×s | 539.92 | Joback Calculated Property |
| η | 0.0002412 | Pa×s | 583.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-propanone, 3-chloro-2-(chloromethyl)-1-phenyl-.
Sources
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