- 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
- 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).
- 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).
- 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 | 0.7585 | Relay (1.0) Calculated Property | |
| ΔfG° | 60.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -216.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.952 | Crippen Calculated Property | |
| McVol | 242.630 | ml/mol | McGowan Calculated Property |
| Pc | 2261.11 | kPa | Joback Calculated Property |
| Inp | [2714.00; 2714.00] |
|
|
| Inp | 2714.00 | NIST | |
| Inp | 2714.00 | NIST | |
| Tboil | 683.15 | K | Relay (1.0) Calculated Property |
| Tc | 1015.93 | K | Relay (1.0) Calculated Property |
| Tfus | 362.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.870 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [673.59; 722.95] | J/mol×K | [914.59; 1178.04] |
|
| Cp,gas | 673.59 | J/mol×K | 914.59 | Joback Calculated Property |
| Cp,gas | 684.88 | J/mol×K | 958.50 | Joback Calculated Property |
| Cp,gas | 694.81 | J/mol×K | 1002.41 | Joback Calculated Property |
| Cp,gas | 703.49 | J/mol×K | 1046.32 | Joback Calculated Property |
| Cp,gas | 711.01 | J/mol×K | 1090.22 | Joback Calculated Property |
| Cp,gas | 717.46 | J/mol×K | 1134.13 | Joback Calculated Property |
| Cp,gas | 722.95 | J/mol×K | 1178.04 | Joback Calculated Property |
| η | [0.0000682; 0.0004813] | Pa×s | [571.47; 914.59] |
|
| η | 0.0004813 | Pa×s | 571.47 | Joback Calculated Property |
| η | 0.0002997 | Pa×s | 628.66 | Joback Calculated Property |
| η | 0.0002019 | Pa×s | 685.84 | Joback Calculated Property |
| η | 0.0001446 | Pa×s | 743.03 | Joback Calculated Property |
| η | 0.0001086 | Pa×s | 800.22 | Joback Calculated Property |
| η | 0.0000847 | Pa×s | 857.40 | Joback Calculated Property |
| η | 0.0000682 | Pa×s | 914.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monochloride, 2-biphenyl ester.
Sources
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