- InChI
- InChI=1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
- InChI Key
- RKIDDEGICSMIJA-UHFFFAOYSA-N
- Formula
- C7H4Cl2O
- SMILES
- O=C(Cl)c1ccc(Cl)cc1
- Molecular Weight1
- 175.01
- CAS
- 122-01-0
- Other Names
-
- 4-Chlorobenzoic acid chloride
- 4-Chlorobenzoyl chloride
- Benzoyl chloride, p-chloro-
- p-Chlorobenzoyl chloride
- para-Chlorobenzoyl chloride
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4377 | Relay (1.0) Calculated Property | |
| ΔfG° | -41.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -128.90 ± 4.30 | kJ/mol | NIST |
| ΔfH°liquid | [-191.70; -190.90] | kJ/mol |
|
| ΔfH°liquid | -191.70 ± 1.10 | kJ/mol | NIST |
| ΔfH°liquid | -190.90 ± 0.88 | kJ/mol | NIST |
| ΔfusH° | 17.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 ± 0.03 | eV | NIST |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.719 | Crippen Calculated Property | |
| McVol | 111.780 | ml/mol | McGowan Calculated Property |
| Pc | 3980.54 | kPa | Joback Calculated Property |
| Tboil | 495.20 | K | NIST |
| Tc | 736.69 | K | Relay (1.0) Calculated Property |
| Tfus | 306.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.399 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.03; 239.57] | J/mol×K | [519.95; 758.29] |
|
| Cp,gas | 197.03 | J/mol×K | 519.95 | Joback Calculated Property |
| Cp,gas | 205.65 | J/mol×K | 559.67 | Joback Calculated Property |
| Cp,gas | 213.61 | J/mol×K | 599.40 | Joback Calculated Property |
| Cp,gas | 220.95 | J/mol×K | 639.12 | Joback Calculated Property |
| Cp,gas | 227.70 | J/mol×K | 678.84 | Joback Calculated Property |
| Cp,gas | 233.90 | J/mol×K | 718.56 | Joback Calculated Property |
| Cp,gas | 239.57 | J/mol×K | 758.29 | Joback Calculated Property |
| η | [0.0003235; 0.0021445] | Pa×s | [317.36; 519.95] |
|
| η | 0.0021445 | Pa×s | 317.36 | Joback Calculated Property |
| η | 0.0013446 | Pa×s | 351.12 | Joback Calculated Property |
| η | 0.0009150 | Pa×s | 384.89 | Joback Calculated Property |
| η | 0.0006626 | Pa×s | 418.66 | Joback Calculated Property |
| η | 0.0005035 | Pa×s | 452.42 | Joback Calculated Property |
| η | 0.0003974 | Pa×s | 486.19 | Joback Calculated Property |
| η | 0.0003235 | Pa×s | 519.95 | Joback Calculated Property |
| ΔvapH | 55.70 | kJ/mol | 381.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.08; 202.64] | kPa | [370.00; 556.63] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56902e+01 | |||
| Coefficient B | -5.77711e+03 | |||
| Temperature range, min. | 370.00 | |||
| Temperature range, max. | 556.63 | |||
| Pvap | 1.08 | kPa | 370.00 | Calculated Property |
| Pvap | 2.47 | kPa | 390.74 | Calculated Property |
| Pvap | 5.21 | kPa | 411.47 | Calculated Property |
| Pvap | 10.21 | kPa | 432.21 | Calculated Property |
| Pvap | 18.83 | kPa | 452.95 | Calculated Property |
| Pvap | 32.92 | kPa | 473.68 | Calculated Property |
| Pvap | 54.90 | kPa | 494.42 | Calculated Property |
| Pvap | 87.87 | kPa | 515.16 | Calculated Property |
| Pvap | 135.62 | kPa | 535.89 | Calculated Property |
| Pvap | 202.64 | kPa | 556.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzoyl chloride, 4-chloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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