- InChI
- InChI=1S/C9H3Cl2F5O2/c10-5-2-1-4(3-6(5)11)18-7(17)8(12,13)9(14,15)16/h1-3H
- InChI Key
- DVBDAOSDGGFSCU-UHFFFAOYSA-N
- Formula
- C9H3Cl2F5O2
- SMILES
-
O=C(Oc1ccc(Cl)c(Cl)c1)C(F)(F)C
(F)(F)F - Molecular Weight1
- 309.02
- CAS
- 959070-20-3
- Other Names
-
- Pentafluoropropanoic acid, 3,4-dichlorophenyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -1108.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1289.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 4.096 | Crippen Calculated Property | |
| McVol | 154.680 | ml/mol | McGowan Calculated Property |
| Pc | 2510.03 | kPa | Joback Calculated Property |
| Inp | 1081.00 | NIST | |
| Tboil | 583.00 | K | Joback Calculated Property |
| Tc | 783.87 | K | Joback Calculated Property |
| Tfus | 382.44 | K | Joback Calculated Property |
| Vc | 0.622 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.05; 395.52] | J/mol×K | [583.00; 783.87] | 
|
| Cp,gas | 352.05 | J/mol×K | 583.00 | Joback Calculated Property |
| Cp,gas | 361.02 | J/mol×K | 616.48 | Joback Calculated Property |
| Cp,gas | 369.24 | J/mol×K | 649.96 | Joback Calculated Property |
| Cp,gas | 376.76 | J/mol×K | 683.44 | Joback Calculated Property |
| Cp,gas | 383.61 | J/mol×K | 716.91 | Joback Calculated Property |
| Cp,gas | 389.85 | J/mol×K | 750.39 | Joback Calculated Property |
| Cp,gas | 395.52 | J/mol×K | 783.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dichlorophenol, pentafluoropropionate.
Sources
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