- InChI
- InChI=1S/C14H10Cl2O3/c1-18-10-4-2-3-9(7-10)14(17)19-11-5-6-12(15)13(16)8-11/h2-8H,1H3
- InChI Key
- NKZQQSMRSOXSET-UHFFFAOYSA-N
- Formula
- C14H10Cl2O3
- SMILES
-
COc1cccc(C(=O)Oc2ccc(Cl)c(Cl)c
2)c1 - Molecular Weight1
- 297.13
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -99.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -302.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.63 | kJ/mol | Joback Calculated Property |
| log10WS | -5.05 | Crippen Calculated Property | |
| logPoct/wat | 4.221 | Crippen Calculated Property | |
| McVol | 198.390 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Inp | [2262.00; 2262.00] |
|
|
| Inp | 2262.00 | NIST | |
| Inp | 2262.00 | NIST | |
| Tboil | 761.59 | K | Joback Calculated Property |
| Tc | 1007.60 | K | Joback Calculated Property |
| Tfus | 492.17 | K | Joback Calculated Property |
| Vc | 0.744 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.05; 539.12] | J/mol×K | [761.59; 1007.60] |
|
| Cp,gas | 484.05 | J/mol×K | 761.59 | Joback Calculated Property |
| Cp,gas | 495.91 | J/mol×K | 802.59 | Joback Calculated Property |
| Cp,gas | 506.68 | J/mol×K | 843.59 | Joback Calculated Property |
| Cp,gas | 516.38 | J/mol×K | 884.59 | Joback Calculated Property |
| Cp,gas | 525.01 | J/mol×K | 925.60 | Joback Calculated Property |
| Cp,gas | 532.59 | J/mol×K | 966.60 | Joback Calculated Property |
| Cp,gas | 539.12 | J/mol×K | 1007.60 | Joback Calculated Property |
| η | [0.0000998; 0.0005499] | Pa×s | [492.17; 761.59] |
|
| η | 0.0005499 | Pa×s | 492.17 | Joback Calculated Property |
| η | 0.0003674 | Pa×s | 537.07 | Joback Calculated Property |
| η | 0.0002612 | Pa×s | 581.98 | Joback Calculated Property |
| η | 0.0001950 | Pa×s | 626.88 | Joback Calculated Property |
| η | 0.0001514 | Pa×s | 671.78 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 716.69 | Joback Calculated Property |
| η | 0.0000998 | Pa×s | 761.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Anisic acid, 3,4-dichlorophenyl ester.
Sources
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