- InChI
- InChI=1S/C11H11Cl3O2/c12-6-2-1-3-11(15)16-8-4-5-9(13)10(14)7-8/h4-5,7H,1-3,6H2
- InChI Key
- BYNHRZMXLGSQAV-UHFFFAOYSA-N
- Formula
- C11H11Cl3O2
- SMILES
- O=C(CCCCCl)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 281.56
- 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° | -134.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.99 | kJ/mol | Joback Calculated Property |
| log10WS | -4.56 | Crippen Calculated Property | |
| logPoct/wat | 4.308 | Crippen Calculated Property | |
| McVol | 186.250 | ml/mol | McGowan Calculated Property |
| Pc | 2407.64 | kPa | Joback Calculated Property |
| Inp | [1969.00; 1969.00] |
|
|
| Inp | 1969.00 | NIST | |
| Inp | 1969.00 | NIST | |
| Tboil | 676.30 | K | Joback Calculated Property |
| Tc | 898.44 | K | Joback Calculated Property |
| Tfus | 427.11 | K | Joback Calculated Property |
| Vc | 0.715 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.38; 476.98] | J/mol×K | [676.30; 898.44] |
|
| Cp,gas | 420.38 | J/mol×K | 676.30 | Joback Calculated Property |
| Cp,gas | 431.66 | J/mol×K | 713.32 | Joback Calculated Property |
| Cp,gas | 442.18 | J/mol×K | 750.35 | Joback Calculated Property |
| Cp,gas | 451.95 | J/mol×K | 787.37 | Joback Calculated Property |
| Cp,gas | 461.00 | J/mol×K | 824.40 | Joback Calculated Property |
| Cp,gas | 469.33 | J/mol×K | 861.42 | Joback Calculated Property |
| Cp,gas | 476.98 | J/mol×K | 898.44 | Joback Calculated Property |
| η | [0.0001645; 0.0010595] | Pa×s | [427.11; 676.30] |
|
| η | 0.0010595 | Pa×s | 427.11 | Joback Calculated Property |
| η | 0.0006769 | Pa×s | 468.64 | Joback Calculated Property |
| η | 0.0004652 | Pa×s | 510.17 | Joback Calculated Property |
| η | 0.0003383 | Pa×s | 551.71 | Joback Calculated Property |
| η | 0.0002572 | Pa×s | 593.24 | Joback Calculated Property |
| η | 0.0002027 | Pa×s | 634.77 | Joback Calculated Property |
| η | 0.0001645 | Pa×s | 676.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, 3,4-dichlorophenyl ester.
Sources
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