- InChI
- InChI=1S/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+
- InChI Key
- OIPVGRCXMFBNAN-SNAWJCMRSA-N
- Formula
- C9H6Cl2O2
- SMILES
- O=C(O)C=Cc1c(Cl)cccc1Cl
- Molecular Weight1
- 217.05
- CAS
- 5345-89-1
- Other Names
-
- 2-Propenoic acid, 3-(2,6-dichlorophenyl)-
- 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).
- 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° | -91.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -194.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.38 | kJ/mol | Joback Calculated Property |
| log10WS | -3.18 | Crippen Calculated Property | |
| logPoct/wat | 3.091 | Crippen Calculated Property | |
| McVol | 141.530 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Tboil | 667.03 | K | Joback Calculated Property |
| Tc | 887.93 | K | Joback Calculated Property |
| Tfus | 408.16 | K | Joback Calculated Property |
| Vc | 0.534 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.67; 338.49] | J/mol×K | [667.03; 887.93] | 
|
| Cp,gas | 299.67 | J/mol×K | 667.03 | Joback Calculated Property |
| Cp,gas | 307.42 | J/mol×K | 703.85 | Joback Calculated Property |
| Cp,gas | 314.60 | J/mol×K | 740.66 | Joback Calculated Property |
| Cp,gas | 321.25 | J/mol×K | 777.48 | Joback Calculated Property |
| Cp,gas | 327.43 | J/mol×K | 814.30 | Joback Calculated Property |
| Cp,gas | 333.16 | J/mol×K | 851.11 | Joback Calculated Property |
| Cp,gas | 338.49 | J/mol×K | 887.93 | Joback Calculated Property |
| η | [0.0000642; 0.0015871] | Pa×s | [408.16; 667.03] |
|
| η | 0.0015871 | Pa×s | 408.16 | Joback Calculated Property |
| η | 0.0007202 | Pa×s | 451.31 | Joback Calculated Property |
| η | 0.0003751 | Pa×s | 494.45 | Joback Calculated Property |
| η | 0.0002170 | Pa×s | 537.60 | Joback Calculated Property |
| η | 0.0001361 | Pa×s | 580.74 | Joback Calculated Property |
| η | 0.0000911 | Pa×s | 623.88 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 667.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dichlorocinnamic acid.
Sources
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