- InChI
- InChI=1S/C16H12Cl2O4/c1-16(17,18)15(21)22-13-8-4-11(5-9-13)14(20)10-2-6-12(19)7-3-10/h2-9,19H,1H3
- InChI Key
- GQQYKXUULIADAL-UHFFFAOYSA-N
- Formula
- C16H12Cl2O4
- SMILES
-
CC(Cl)(Cl)C(=O)Oc1ccc(C(=O)c2c
cc(O)cc2)cc1 - Molecular Weight1
- 339.17
- CAS
- 116495-90-0
- 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 | 0.8016 | Relay (1.0) Calculated Property | |
| ΔfG° | -239.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.722 | Crippen Calculated Property | |
| McVol | 228.140 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Tboil | 662.85 | K | Relay (1.0) Calculated Property |
| Tc | 959.17 | K | Relay (1.0) Calculated Property |
| Tfus | 424.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.794 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.65; 677.86] | J/mol×K | [906.23; 1167.27] | 
|
| Cp,gas | 619.65 | J/mol×K | 906.23 | Joback Calculated Property |
| Cp,gas | 630.19 | J/mol×K | 949.74 | Joback Calculated Property |
| Cp,gas | 640.15 | J/mol×K | 993.24 | Joback Calculated Property |
| Cp,gas | 649.73 | J/mol×K | 1036.75 | Joback Calculated Property |
| Cp,gas | 659.08 | J/mol×K | 1080.26 | Joback Calculated Property |
| Cp,gas | 668.40 | J/mol×K | 1123.77 | Joback Calculated Property |
| Cp,gas | 677.86 | J/mol×K | 1167.27 | Joback Calculated Property |
| η | [0.0000032; 0.0000451] | Pa×s | [631.51; 906.23] |
|
| η | 0.0000451 | Pa×s | 631.51 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 677.30 | Joback Calculated Property |
| η | 0.0000148 | Pa×s | 723.08 | Joback Calculated Property |
| η | 0.0000094 | Pa×s | 768.87 | Joback Calculated Property |
| η | 0.0000063 | Pa×s | 814.66 | Joback Calculated Property |
| η | 0.0000044 | Pa×s | 860.44 | Joback Calculated Property |
| η | 0.0000032 | Pa×s | 906.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Hydroxybenzoyl)phenyl 2,2-dichloropropanoate.
Sources
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