- InChI
- InChI=1S/C16H14Cl2O2/c1-10(2)11-3-6-13(7-4-11)20-16(19)12-5-8-14(17)15(18)9-12/h3-10H,1-2H3
- InChI Key
- KUYPPVGCZIGLAH-UHFFFAOYSA-N
- Formula
- C16H14Cl2O2
- SMILES
-
CC(C)c1ccc(OC(=O)c2ccc(Cl)c(Cl
)c2)cc1 - Molecular Weight1
- 309.19
- CAS
- 116465-99-7
- 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).
- 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 | 0.6947 | Relay (... Calculated Property | |
| ΔfG° | 19.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.22 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.92 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -6.38 | Relay (... Calculated Property | |
| logPoct/wat | 5.336 | Crippen Calculated Property | |
| McVol | 220.700 | ml/mol | McGowan Calculated Property |
| Pc | 2149.31 | kPa | Joback Calculated Property |
| Tboil | 622.11 | K | Relay (... Calculated Property |
| Tc | 903.96 | K | Relay (... Calculated Property |
| Tfus | 338.85 | K | Relay (... Calculated Property |
| Vc | 0.789 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.55; 628.72] | J/mol×K | [784.49; 1028.94] | 
|
| Cp,gas | 565.55 | J/mol×K | 784.49 | Joback Calculated Property |
| Cp,gas | 578.85 | J/mol×K | 825.23 | Joback Calculated Property |
| Cp,gas | 590.99 | J/mol×K | 865.97 | Joback Calculated Property |
| Cp,gas | 602.00 | J/mol×K | 906.72 | Joback Calculated Property |
| Cp,gas | 611.93 | J/mol×K | 947.46 | Joback Calculated Property |
| Cp,gas | 620.82 | J/mol×K | 988.20 | Joback Calculated Property |
| Cp,gas | 628.72 | J/mol×K | 1028.94 | Joback Calculated Property |
| η | [0.0000935; 0.0007133] | Pa×s | [477.48; 784.49] |
|
| η | 0.0007133 | Pa×s | 477.48 | Joback Calculated Property |
| η | 0.0004316 | Pa×s | 528.65 | Joback Calculated Property |
| η | 0.0002853 | Pa×s | 579.82 | Joback Calculated Property |
| η | 0.0002017 | Pa×s | 630.99 | Joback Calculated Property |
| η | 0.0001502 | Pa×s | 682.15 | Joback Calculated Property |
| η | 0.0001166 | Pa×s | 733.32 | Joback Calculated Property |
| η | 0.0000935 | Pa×s | 784.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dichlorobenzoic acid, 4-isopropyl phenyl ester.
Sources
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