- InChI
- InChI=1S/C11H12Cl2O2/c12-8-2-1-3-11(14)15-10-6-4-9(13)5-7-10/h4-7H,1-3,8H2
- InChI Key
- ZSYKPXRQYIMAOB-UHFFFAOYSA-N
- Formula
- C11H12Cl2O2
- SMILES
- O=C(CCCCCl)Oc1ccc(Cl)cc1
- Molecular Weight1
- 247.12
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6567 | Relay (1.0) Calculated Property | |
| ΔfG° | -113.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.655 | Crippen Calculated Property | |
| McVol | 174.010 | ml/mol | McGowan Calculated Property |
| Pc | 2535.37 | kPa | Joback Calculated Property |
| Inp | [1780.00; 1780.00] |
|
|
| Inp | 1780.00 | NIST | |
| Inp | 1780.00 | NIST | |
| Tboil | 569.64 | K | Relay (1.0) Calculated Property |
| Tc | 796.62 | K | Relay (1.0) Calculated Property |
| Tfus | 309.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.614 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.03; 460.95] | J/mol×K | [633.89; 851.92] |
|
| Cp,gas | 398.03 | J/mol×K | 633.89 | Joback Calculated Property |
| Cp,gas | 410.43 | J/mol×K | 670.23 | Joback Calculated Property |
| Cp,gas | 422.03 | J/mol×K | 706.57 | Joback Calculated Property |
| Cp,gas | 432.86 | J/mol×K | 742.91 | Joback Calculated Property |
| Cp,gas | 442.95 | J/mol×K | 779.25 | Joback Calculated Property |
| Cp,gas | 452.30 | J/mol×K | 815.59 | Joback Calculated Property |
| Cp,gas | 460.95 | J/mol×K | 851.92 | Joback Calculated Property |
| η | [0.0001806; 0.0014521] | Pa×s | [384.67; 633.89] |
|
| η | 0.0014521 | Pa×s | 384.67 | Joback Calculated Property |
| η | 0.0008662 | Pa×s | 426.21 | Joback Calculated Property |
| η | 0.0005664 | Pa×s | 467.74 | Joback Calculated Property |
| η | 0.0003969 | Pa×s | 509.28 | Joback Calculated Property |
| η | 0.0002934 | Pa×s | 550.82 | Joback Calculated Property |
| η | 0.0002263 | Pa×s | 592.35 | Joback Calculated Property |
| η | 0.0001806 | Pa×s | 633.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, 4-chlorophenyl ester.
Sources
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