- InChI
- InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
- InChI Key
- PASDCCFISLVPSO-UHFFFAOYSA-N
- Formula
- C7H5ClO
- SMILES
- O=C(Cl)c1ccccc1
- Molecular Weight1
- 140.57
- CAS
- 98-88-4
- Other Names
-
- ALPHA-CHLORO-BENZALDEHYDE
- BENZENECARBONYL CHLORIDE
- Benzaldehyde, «alpha»-chloro-
- Benzaldehyde, «alpha»-chloro-
- Benzoic acid, chloride
- UN 1736
- «alpha»-Chlorobenzaldehyde
- «alpha»-Chlorobenzaldehyde
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -3332.60 | kJ/mol | NIST |
| ΔfG° | -20.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.00 ± 4.20 | kJ/mol | NIST |
| ΔfH°liquid | [-164.40; -157.30] | kJ/mol |
|
| ΔfH°liquid | -157.30 ± 0.40 | kJ/mol | NIST |
| ΔfH°liquid | -160.30 | kJ/mol | NIST |
| ΔfH°liquid | -164.40 | kJ/mol | NIST |
| ΔfusH° | 13.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.80 ± 4.20 | kJ/mol | NIST |
| IE | [9.52; 10.00] | eV |
|
| IE | 9.53 | eV | NIST |
| IE | 9.54 | eV | NIST |
| IE | 9.52 | eV | NIST |
| IE | 9.69 | eV | NIST |
| IE | 9.92 | eV | NIST |
| IE | 9.85 | eV | NIST |
| IE | 9.70 ± 0.01 | eV | NIST |
| IE | 9.79 | eV | NIST |
| IE | 10.00 | eV | NIST |
| IE | 9.79 | eV | NIST |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 2.066 | Crippen Calculated Property | |
| McVol | 99.540 | ml/mol | McGowan Calculated Property |
| Pc | 4255.16 | kPa | Joback Calculated Property |
| Inp | [1036.50; 1095.10] |
|
|
| Inp | 1080.00 | NIST | |
| Inp | 1036.50 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1095.10 | NIST | |
| Inp | 1046.00 | NIST | |
| Tboil | [469.00; 472.20] | K |
|
| Tboil | 469.85 | K | KDB |
| Tboil | 470.40 | K | NIST |
| Tboil | 471.00 | K | NIST |
| Tboil | 470.00 | K | NIST |
| Tboil | 471.00 ± 7.00 | K | NIST |
| Tboil | 469.00 ± 3.00 | K | NIST |
| Tboil | 471.00 ± 3.00 | K | NIST |
| Tboil | 472.20 ± 3.00 | K | NIST |
| Tboil | 470.35 ± 0.50 | K | NIST |
| Tc | 709.16 | K | Joback Calculated Property |
| Tfus | [272.00; 272.75] | K |
|
| Tfus | 272.55 | K | KDB |
| Tfus | 272.00 | K | NIST |
| Tfus | 272.52 ± 0.35 | K | NIST |
| Tfus | 272.75 ± 0.20 | K | NIST |
| Vc | 0.374 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.16; 224.88] | J/mol×K | [477.54; 709.16] |
|
| Cp,gas | 176.16 | J/mol×K | 477.54 | Joback Calculated Property |
| Cp,gas | 185.94 | J/mol×K | 516.14 | Joback Calculated Property |
| Cp,gas | 195.02 | J/mol×K | 554.75 | Joback Calculated Property |
| Cp,gas | 203.42 | J/mol×K | 593.35 | Joback Calculated Property |
| Cp,gas | 211.17 | J/mol×K | 631.95 | Joback Calculated Property |
| Cp,gas | 218.31 | J/mol×K | 670.55 | Joback Calculated Property |
| Cp,gas | 224.88 | J/mol×K | 709.16 | Joback Calculated Property |
| Cp,liquid | 187.00 | J/mol×K | 298.00 | NIST |
| η | [0.0003211; 0.0028759] | Pa×s | [274.92; 477.54] |
|
| η | 0.0028759 | Pa×s | 274.92 | Joback Calculated Property |
| η | 0.0016342 | Pa×s | 308.69 | Joback Calculated Property |
| η | 0.0010381 | Pa×s | 342.46 | Joback Calculated Property |
| η | 0.0007154 | Pa×s | 376.23 | Joback Calculated Property |
| η | 0.0005242 | Pa×s | 410.00 | Joback Calculated Property |
| η | 0.0004027 | Pa×s | 443.77 | Joback Calculated Property |
| η | 0.0003211 | Pa×s | 477.54 | Joback Calculated Property |
| ΔvapH | 49.60 | kJ/mol | 387.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [345.72; 489.08] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61165e+01 | |||
| Coefficient B | -4.88082e+03 | |||
| Coefficient C | -3.73660e+01 | |||
| Temperature range, min. | 345.72 | |||
| Temperature range, max. | 489.08 | |||
| Pvap | 1.33 | kPa | 345.72 | Calculated Property |
| Pvap | 2.90 | kPa | 361.65 | Calculated Property |
| Pvap | 5.87 | kPa | 377.58 | Calculated Property |
| Pvap | 11.15 | kPa | 393.51 | Calculated Property |
| Pvap | 20.05 | kPa | 409.44 | Calculated Property |
| Pvap | 34.36 | kPa | 425.36 | Calculated Property |
| Pvap | 56.43 | kPa | 441.29 | Calculated Property |
| Pvap | 89.25 | kPa | 457.22 | Calculated Property |
| Pvap | 136.51 | kPa | 473.15 | Calculated Property |
| Pvap | 202.62 | kPa | 489.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzoyl chloride.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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