- InChI
- InChI=1S/C8H4Cl2O2/c9-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H
- InChI Key
- FYXKZNLBZKRYSS-UHFFFAOYSA-N
- Formula
- C8H4Cl2O2
- SMILES
- O=C(Cl)c1ccccc1C(=O)Cl
- Molecular Weight1
- 203.02
- CAS
- 88-95-9
- Other Names
-
- 1,2-Bis(chlorocarbonyl)benzene
- NSC 44611
- Phthalic acid dichloride
- Phthalic chloride
- Phthalic dichloride
- Phthaloyl chloride
- Phthaloyl dichloride
- Phthalyl chloride
- Phthalyl dichloride
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5330 | Relay (1.0) Calculated Property | |
| ΔfG° | -162.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.445 | Crippen Calculated Property | |
| McVol | 127.440 | ml/mol | McGowan Calculated Property |
| Pc | 3819.82 | kPa | Joback Calculated Property |
| Tboil | [543.20; 3114.25] | K |
|
| Tboil | 543.20 | K | NIST |
| Tboil | 554.30 | K | NIST |
| Tboil | 554.00 | K | NIST |
| Tboil | 3114.25 ± 1.00 | K | NIST |
| Tc | 770.15 | K | Relay (1.0) Calculated Property |
| Tfus | 288.50 ± 0.50 | K | NIST |
| Vc | 0.457 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.41; 288.72] | J/mol×K | [596.70; 838.34] |
|
| Cp,gas | 247.41 | J/mol×K | 596.70 | Joback Calculated Property |
| Cp,gas | 255.95 | J/mol×K | 636.97 | Joback Calculated Property |
| Cp,gas | 263.78 | J/mol×K | 677.25 | Joback Calculated Property |
| Cp,gas | 270.94 | J/mol×K | 717.52 | Joback Calculated Property |
| Cp,gas | 277.47 | J/mol×K | 757.79 | Joback Calculated Property |
| Cp,gas | 283.38 | J/mol×K | 798.06 | Joback Calculated Property |
| Cp,gas | 288.72 | J/mol×K | 838.34 | Joback Calculated Property |
| η | [0.0003196; 0.0019653] | Pa×s | [378.56; 596.70] |
|
| η | 0.0019653 | Pa×s | 378.56 | Joback Calculated Property |
| η | 0.0012716 | Pa×s | 414.92 | Joback Calculated Property |
| η | 0.0008826 | Pa×s | 451.27 | Joback Calculated Property |
| η | 0.0006468 | Pa×s | 487.63 | Joback Calculated Property |
| η | 0.0004949 | Pa×s | 523.99 | Joback Calculated Property |
| η | 0.0003921 | Pa×s | 560.34 | Joback Calculated Property |
| η | 0.0003196 | Pa×s | 596.70 | Joback Calculated Property |
| ΔvapH | 58.00 | kJ/mol | 470.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 426.40 | K | 2.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.61; 202.67] | kPa | [391.00; 602.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52026e+01 | |||
| Coefficient B | -5.64257e+03 | |||
| Coefficient C | -3.15700e+01 | |||
| Temperature range, min. | 391.00 | |||
| Temperature range, max. | 602.04 | |||
| Pvap | 0.61 | kPa | 391.00 | Calculated Property |
| Pvap | 1.59 | kPa | 414.45 | Calculated Property |
| Pvap | 3.73 | kPa | 437.90 | Calculated Property |
| Pvap | 7.95 | kPa | 461.35 | Calculated Property |
| Pvap | 15.69 | kPa | 484.80 | Calculated Property |
| Pvap | 28.94 | kPa | 508.24 | Calculated Property |
| Pvap | 50.42 | kPa | 531.69 | Calculated Property |
| Pvap | 83.56 | kPa | 555.14 | Calculated Property |
| Pvap | 132.63 | kPa | 578.59 | Calculated Property |
| Pvap | 202.67 | kPa | 602.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarbonyl dichloride.
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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