- InChI
- InChI=1S/C8H6Cl2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2
- InChI Key
- RCOVTJVRTZGSBP-UHFFFAOYSA-N
- Formula
- C8H6Cl2O
- SMILES
- O=C(Cl)c1ccc(CCl)cc1
- Molecular Weight1
- 189.04
- CAS
- 876-08-4
- Other Names
-
- Benzoyl chloride, 4-(chloromethyl)-
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Pvap : Vapor 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° | -33.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -127.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.86 | kJ/mol | Joback Calculated Property |
| log10WS | -3.39 | Crippen Calculated Property | |
| logPoct/wat | 2.804 | Crippen Calculated Property | |
| McVol | 125.870 | ml/mol | McGowan Calculated Property |
| Pc | 3538.87 | kPa | Joback Calculated Property |
| Tboil | 542.83 | K | Joback Calculated Property |
| Tc | 776.56 | K | Joback Calculated Property |
| Tfus | 328.63 | K | Joback Calculated Property |
| Vc | 0.479 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.61; 287.64] | J/mol×K | [542.83; 776.56] | 
|
| Cp,gas | 238.61 | J/mol×K | 542.83 | Joback Calculated Property |
| Cp,gas | 248.45 | J/mol×K | 581.78 | Joback Calculated Property |
| Cp,gas | 257.58 | J/mol×K | 620.74 | Joback Calculated Property |
| Cp,gas | 266.02 | J/mol×K | 659.69 | Joback Calculated Property |
| Cp,gas | 273.83 | J/mol×K | 698.65 | Joback Calculated Property |
| Cp,gas | 281.02 | J/mol×K | 737.60 | Joback Calculated Property |
| Cp,gas | 287.64 | J/mol×K | 776.56 | Joback Calculated Property |
| η | [0.0003006; 0.0021405] | Pa×s | [328.63; 542.83] |
|
| η | 0.0021405 | Pa×s | 328.63 | Joback Calculated Property |
| η | 0.0013147 | Pa×s | 364.33 | Joback Calculated Property |
| η | 0.0008809 | Pa×s | 400.03 | Joback Calculated Property |
| η | 0.0006303 | Pa×s | 435.73 | Joback Calculated Property |
| η | 0.0004744 | Pa×s | 471.43 | Joback Calculated Property |
| η | 0.0003716 | Pa×s | 507.13 | Joback Calculated Property |
| η | 0.0003006 | Pa×s | 542.83 | Joback Calculated Property |
| ΔvapH | 68.30 | kJ/mol | 453.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [413.73; 572.64] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.83918e+01 | |||
| Coefficient B | -7.49030e+03 | |||
| Temperature range, min. | 413.73 | |||
| Temperature range, max. | 572.64 | |||
| Pvap | 1.33 | kPa | 413.73 | Calculated Property |
| Pvap | 2.80 | kPa | 431.39 | Calculated Property |
| Pvap | 5.54 | kPa | 449.04 | Calculated Property |
| Pvap | 10.41 | kPa | 466.70 | Calculated Property |
| Pvap | 18.68 | kPa | 484.36 | Calculated Property |
| Pvap | 32.18 | kPa | 502.01 | Calculated Property |
| Pvap | 53.42 | kPa | 519.67 | Calculated Property |
| Pvap | 85.79 | kPa | 537.33 | Calculated Property |
| Pvap | 133.67 | kPa | 554.98 | Calculated Property |
| Pvap | 202.66 | kPa | 572.64 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Chloromethyl)benzoyl chloride.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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