- InChI
- InChI=1S/C14H15Cl3O2/c15-10-7-12(17)13(8-11(10)16)19-14(18)6-5-9-3-1-2-4-9/h7-9H,1-6H2
- InChI Key
- XIBYBGGUAYSUMU-UHFFFAOYSA-N
- Formula
- C14H15Cl3O2
- SMILES
-
O=C(CCC1CCCC1)Oc1cc(Cl)c(Cl)cc
1Cl - Molecular Weight1
- 321.63
- 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° | -82.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.59 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 5.523 | Crippen Calculated Property | |
| McVol | 217.660 | ml/mol | McGowan Calculated Property |
| Pc | 2141.36 | kPa | Joback Calculated Property |
| Inp | [2276.00; 2276.00] |
|
|
| Inp | 2276.00 | NIST | |
| Inp | 2276.00 | NIST | |
| Tboil | 765.20 | K | Joback Calculated Property |
| Tc | 1003.27 | K | Joback Calculated Property |
| Tfus | 484.34 | K | Joback Calculated Property |
| Vc | 0.824 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [562.24; 630.27] | J/mol×K | [765.20; 1003.27] |
|
| Cp,gas | 562.24 | J/mol×K | 765.20 | Joback Calculated Property |
| Cp,gas | 576.31 | J/mol×K | 804.88 | Joback Calculated Property |
| Cp,gas | 589.23 | J/mol×K | 844.56 | Joback Calculated Property |
| Cp,gas | 601.04 | J/mol×K | 884.24 | Joback Calculated Property |
| Cp,gas | 611.79 | J/mol×K | 923.92 | Joback Calculated Property |
| Cp,gas | 621.52 | J/mol×K | 963.59 | Joback Calculated Property |
| Cp,gas | 630.27 | J/mol×K | 1003.27 | Joback Calculated Property |
| η | [0.0001676; 0.0009588] | Pa×s | [484.34; 765.20] |
|
| η | 0.0009588 | Pa×s | 484.34 | Joback Calculated Property |
| η | 0.0006307 | Pa×s | 531.15 | Joback Calculated Property |
| η | 0.0004441 | Pa×s | 577.96 | Joback Calculated Property |
| η | 0.0003295 | Pa×s | 624.77 | Joback Calculated Property |
| η | 0.0002549 | Pa×s | 671.58 | Joback Calculated Property |
| η | 0.0002039 | Pa×s | 718.39 | Joback Calculated Property |
| η | 0.0001676 | Pa×s | 765.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 2,4,5-trichlorophenyl ester.
Sources
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