- InChI
- InChI=1S/C11H11Cl3O/c12-6-11(7-13,8-14)10(15)9-4-2-1-3-5-9/h1-5H,6-8H2
- InChI Key
- VOGMUJBKJVSTGJ-UHFFFAOYSA-N
- Formula
- C11H11Cl3O
- SMILES
- O=C(c1ccccc1)C(CCl)(CCl)CCl
- Molecular Weight1
- 265.56
- 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 | 0.5140 | Relay (1.0) Calculated Property | |
| ΔfG° | -7.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.572 | Crippen Calculated Property | |
| McVol | 180.380 | ml/mol | McGowan Calculated Property |
| Pc | 2571.50 | kPa | Joback Calculated Property |
| Inp | 1814.00 | NIST | |
| Tboil | 587.09 | K | Relay (1.0) Calculated Property |
| Tc | 841.04 | K | Relay (1.0) Calculated Property |
| Tfus | 376.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.601 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.26; 483.60] | 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 | -1.94570e+01 | |||
| Coefficient B | 1.08810e+00 | |||
| Coefficient C | -8.20100e-04 | |||
| Coefficient D | 2.35060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 221.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 273.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 317.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 355.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 387.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 414.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 436.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 454.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 470.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 483.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023038; 0.0002191] | Pa×s | [382.26; 614.39] |
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 | -1.23001e+01 | |||
| Coefficient B | 2.38031e+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. | 382.26 | |||
| Temperature range, max. | 614.39 | |||
| η | 0.0023038 | Pa×s | 382.26 | Calculated Property |
| η | 0.0015542 | Pa×s | 408.05 | Calculated Property |
| η | 0.0010988 | Pa×s | 433.84 | Calculated Property |
| η | 0.0008076 | Pa×s | 459.64 | Calculated Property |
| η | 0.0006133 | Pa×s | 485.43 | Calculated Property |
| η | 0.0004789 | Pa×s | 511.22 | Calculated Property |
| η | 0.0003829 | Pa×s | 537.01 | Calculated Property |
| η | 0.0003125 | Pa×s | 562.80 | Calculated Property |
| η | 0.0002597 | Pa×s | 588.60 | Calculated Property |
| η | 0.0002191 | Pa×s | 614.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-3-chloro-2,2-bis(chloromethyl)-1-propanone.
Sources
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