- 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
- 217.10
- 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° | 78.58 | 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 | 801.18 | K | Relay (1.0) Calculated Property |
| Tfus | 334.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.78; 422.81] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.64800e+00 | |||
| Coefficient B | 8.66400e-01 | |||
| Coefficient C | -5.76700e-04 | |||
| Coefficient D | 1.41760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 187.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 231.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 270.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 304.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 332.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 357.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 378.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 395.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 410.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 422.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033436; 0.0002624] | Pa×s | [323.65; 568.58] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.16087e+01 | |||
| Coefficient B | 1.91211e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 323.65 | |||
| Temperature range, max. | 568.58 | |||
| η | 0.0033436 | Pa×s | 323.65 | Calculated Property |
| η | 0.0021145 | Pa×s | 350.86 | Calculated Property |
| η | 0.0014284 | Pa×s | 378.08 | Calculated Property |
| η | 0.0010171 | Pa×s | 405.29 | Calculated Property |
| η | 0.0007558 | Pa×s | 432.51 | Calculated Property |
| η | 0.0005818 | Pa×s | 459.72 | Calculated Property |
| η | 0.0004611 | Pa×s | 486.94 | Calculated Property |
| η | 0.0003746 | Pa×s | 514.15 | Calculated Property |
| η | 0.0003107 | Pa×s | 541.36 | Calculated Property |
| η | 0.0002624 | Pa×s | 568.58 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-propanone, 3-chloro-2-(chloromethyl)-1-phenyl-.
Sources
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