- InChI
- InChI=1S/C13H6Cl4O2/c14-8-6-9(15)12(11(17)10(8)16)19-13(18)7-4-2-1-3-5-7/h1-6H
- InChI Key
- XCOILKOWUZFKKG-UHFFFAOYSA-N
- Formula
- C13H6Cl4O2
- SMILES
-
O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)c1
ccccc1 - Molecular Weight1
- 336.00
- 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° | -36.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -192.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.43 | kJ/mol | Joback Calculated Property |
| log10WS | -6.30 | Crippen Calculated Property | |
| logPoct/wat | 5.519 | Crippen Calculated Property | |
| McVol | 202.910 | ml/mol | McGowan Calculated Property |
| Pc | 2587.22 | kPa | Joback Calculated Property |
| Inp | [2320.00; 2320.00] |
|
|
| Inp | 2320.00 | NIST | |
| Inp | 2320.00 | NIST | |
| Tboil | 796.13 | K | Joback Calculated Property |
| Tc | 1055.94 | K | Joback Calculated Property |
| Tfus | 531.03 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.65; 487.47] | J/mol×K | [796.13; 1055.94] |
|
| Cp,gas | 446.65 | J/mol×K | 796.13 | Joback Calculated Property |
| Cp,gas | 455.79 | J/mol×K | 839.43 | Joback Calculated Property |
| Cp,gas | 463.95 | J/mol×K | 882.73 | Joback Calculated Property |
| Cp,gas | 471.17 | J/mol×K | 926.03 | Joback Calculated Property |
| Cp,gas | 477.47 | J/mol×K | 969.33 | Joback Calculated Property |
| Cp,gas | 482.89 | J/mol×K | 1012.64 | Joback Calculated Property |
| Cp,gas | 487.47 | J/mol×K | 1055.94 | Joback Calculated Property |
| η | [0.0001186; 0.0005512] | Pa×s | [531.03; 796.13] |
|
| η | 0.0005512 | Pa×s | 531.03 | Joback Calculated Property |
| η | 0.0003867 | Pa×s | 575.21 | Joback Calculated Property |
| η | 0.0002854 | Pa×s | 619.40 | Joback Calculated Property |
| η | 0.0002193 | Pa×s | 663.58 | Joback Calculated Property |
| η | 0.0001742 | Pa×s | 707.76 | Joback Calculated Property |
| η | 0.0001421 | Pa×s | 751.95 | Joback Calculated Property |
| η | 0.0001186 | Pa×s | 796.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,3,4,6-tetrachlorophenyl ester.
Sources
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