- InChI
- InChI=1S/C20H13ClO3/c21-19(22)15-9-6-10-16(13-15)20(23)24-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H
- InChI Key
- QDHKTUJFUZDDEA-UHFFFAOYSA-N
- Formula
- C20H13ClO3
- SMILES
-
O=C(Cl)c1cccc(C(=O)Oc2ccccc2-c
2ccccc2)c1 - Molecular Weight1
- 336.77
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -216.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.952 | Crippen Calculated Property | |
| McVol | 242.630 | ml/mol | McGowan Calculated Property |
| Inp | [2714.00; 2714.00] |
|
|
| Inp | 2714.00 | NIST | |
| Inp | 2714.00 | NIST | |
| Tboil | 683.15 | K | Relay (1.0) Calculated Property |
| Tfus | 361.54 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [670.42; 718.78] | J/mol×K | [896.72; 1159.11] |
|
| Cp,gas | 670.42 | J/mol×K | 896.72 | Joback Calculated Property |
| Cp,gas | 681.75 | J/mol×K | 940.45 | Joback Calculated Property |
| Cp,gas | 691.65 | J/mol×K | 984.18 | Joback Calculated Property |
| Cp,gas | 700.20 | J/mol×K | 1027.92 | Joback Calculated Property |
| Cp,gas | 707.50 | J/mol×K | 1071.65 | Joback Calculated Property |
| Cp,gas | 713.67 | J/mol×K | 1115.38 | Joback Calculated Property |
| Cp,gas | 718.78 | J/mol×K | 1159.11 | Joback Calculated Property |
| η | [0.0000592; 0.0005301] | Pa×s | [541.64; 896.72] |
|
| η | 0.0005301 | Pa×s | 541.64 | Joback Calculated Property |
| η | 0.0003073 | Pa×s | 600.82 | Joback Calculated Property |
| η | 0.0001964 | Pa×s | 660.00 | Joback Calculated Property |
| η | 0.0001352 | Pa×s | 719.18 | Joback Calculated Property |
| η | 0.0000984 | Pa×s | 778.36 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 837.54 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 896.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monochloride, 2-biphenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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