- InChI
- InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H
- InChI Key
- WHIHIKVIWVIIER-UHFFFAOYSA-N
- Formula
- C7H4Cl2O
- SMILES
- O=C(Cl)c1cccc(Cl)c1
- Molecular Weight1
- 175.01
- CAS
- 618-46-2
- Other Names
-
- 3-Chlorobenzoyl chloride
- Benzoyl chloride, m-chloro-
- m-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).
- 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 | 0.4309 | Relay (1.0) Calculated Property | |
| ΔfG° | -41.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -138.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -190.00 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 17.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | 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 |
| Inp | [1246.60; 1246.60] |
|
|
| Inp | 1246.60 | NIST | |
| Inp | 1246.60 | NIST | |
| Tboil | 498.20 | K | NIST |
| Tc | 746.31 | K | Relay (1.0) Calculated Property |
| Tfus | 266.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.403 | 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 | 49.40 | kJ/mol | 379.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [368.75; 560.96] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.36924e+01 | |||
| Coefficient B | -4.29827e+03 | |||
| Coefficient C | -4.80940e+01 | |||
| Temperature range, min. | 368.75 | |||
| Temperature range, max. | 560.96 | |||
| Pvap | 1.33 | kPa | 368.75 | Calculated Property |
| Pvap | 3.08 | kPa | 390.11 | Calculated Property |
| Pvap | 6.45 | kPa | 411.46 | Calculated Property |
| Pvap | 12.43 | kPa | 432.82 | Calculated Property |
| Pvap | 22.37 | kPa | 454.18 | Calculated Property |
| Pvap | 37.96 | kPa | 475.53 | Calculated Property |
| Pvap | 61.25 | kPa | 496.89 | Calculated Property |
| Pvap | 94.64 | kPa | 518.25 | Calculated Property |
| Pvap | 140.79 | kPa | 539.60 | Calculated Property |
| Pvap | 202.65 | kPa | 560.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzoyl chloride, 3-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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