- InChI
- InChI=1S/C11H12Cl2O2/c1-2-3-4-11(14)15-8-5-6-9(12)10(13)7-8/h5-7H,2-4H2,1H3
- InChI Key
- YNABTDZJUAFPIV-UHFFFAOYSA-N
- Formula
- C11H12Cl2O2
- SMILES
- CCCCC(=O)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 247.12
- 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° | -122.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.41 | Crippen Calculated Property | |
| logPoct/wat | 4.089 | Crippen Calculated Property | |
| McVol | 174.010 | ml/mol | McGowan Calculated Property |
| Pc | 2497.50 | kPa | Joback Calculated Property |
| Inp | [1683.00; 1683.00] |
|
|
| Inp | 1683.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Tboil | 638.87 | K | Joback Calculated Property |
| Tc | 857.81 | K | Joback Calculated Property |
| Tfus | 397.19 | K | Joback Calculated Property |
| Vc | 0.665 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.95; 459.17] | J/mol×K | [638.87; 857.81] |
|
| Cp,gas | 396.95 | J/mol×K | 638.87 | Joback Calculated Property |
| Cp,gas | 409.15 | J/mol×K | 675.36 | Joback Calculated Property |
| Cp,gas | 420.60 | J/mol×K | 711.85 | Joback Calculated Property |
| Cp,gas | 431.31 | J/mol×K | 748.34 | Joback Calculated Property |
| Cp,gas | 441.31 | J/mol×K | 784.83 | Joback Calculated Property |
| Cp,gas | 450.59 | J/mol×K | 821.32 | Joback Calculated Property |
| Cp,gas | 459.17 | J/mol×K | 857.81 | Joback Calculated Property |
| η | [0.0001786; 0.0011863] | Pa×s | [397.19; 638.87] |
|
| η | 0.0011863 | Pa×s | 397.19 | Joback Calculated Property |
| η | 0.0007483 | Pa×s | 437.47 | Joback Calculated Property |
| η | 0.0005101 | Pa×s | 477.75 | Joback Calculated Property |
| η | 0.0003691 | Pa×s | 518.03 | Joback Calculated Property |
| η | 0.0002798 | Pa×s | 558.31 | Joback Calculated Property |
| η | 0.0002202 | Pa×s | 598.59 | Joback Calculated Property |
| η | 0.0001786 | Pa×s | 638.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, 3,4-dichlorophenyl ester.
Sources
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