- InChI
- InChI=1S/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H
- InChI Key
- FDQSRULYDNDXQB-UHFFFAOYSA-N
- Formula
- C8H4Cl2O2
- SMILES
- O=C(Cl)c1cccc(C(=O)Cl)c1
- Molecular Weight1
- 203.02
- CAS
- 99-63-8
- Other Names
-
- 1,3-Benzenedicarbonyl chloride
- 1,3-Bis(chlorocarbonyl)benzene
- Dichlorid kyseliny isoftalove
- Isophthalic acid chloride
- Isophthalic acid dichloride
- Isophthalic chloride
- Isophthaloyl chloride
- Isophthaloyl dichloride
- Isophthalyl chloride
- Isophthalyl dichloride
- Isothaloyl chloride
- M-BENZENEDICARBONYL CHLORIDE
- M-PHTHALIC DICHLORIDE
- NSC 41884
- m-Phthaloyl chloride
- m-Phthaloyl dichloride
- m-Phthalyl chloride
- m-Phthalyl dichloride
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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°solid : Solid 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | [-3400.00; -3397.70] | kJ/mol |
|
| ΔcH°solid | -3397.70 ± 2.00 | kJ/mol | NIST |
| ΔcH°solid | -3400.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | -162.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.03 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [-365.00; -322.00] | kJ/mol |
|
| ΔfH°solid | -322.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°solid | -365.00 | kJ/mol | NIST |
| ΔfusH° | 21.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen 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 | 549.20 | K | NIST |
| Tc | 838.34 | K | Joback Calculated Property |
| Tfus | 378.56 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback 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 | 61.50 | kJ/mol | 496.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [417.60; 601.39] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42901e+01 | |||
| Coefficient B | -4.59924e+03 | |||
| Coefficient C | -8.91440e+01 | |||
| Temperature range, min. | 417.60 | |||
| Temperature range, max. | 601.39 | |||
| Pvap | 1.33 | kPa | 417.60 | Calculated Property |
| Pvap | 3.03 | kPa | 438.02 | Calculated Property |
| Pvap | 6.27 | kPa | 458.44 | Calculated Property |
| Pvap | 12.05 | kPa | 478.86 | Calculated Property |
| Pvap | 21.68 | kPa | 499.28 | Calculated Property |
| Pvap | 36.90 | kPa | 519.71 | Calculated Property |
| Pvap | 59.85 | kPa | 540.13 | Calculated Property |
| Pvap | 93.09 | kPa | 560.55 | Calculated Property |
| Pvap | 139.59 | kPa | 580.97 | Calculated Property |
| Pvap | 202.66 | kPa | 601.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Benzenedicarbonyl dichloride.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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