- InChI
- InChI=1S/C14H19ClO3/c1-2-3-4-5-10-17-14(16)11-18-13-8-6-12(15)7-9-13/h6-9H,2-5,10-11H2,1H3
- InChI Key
- MDWBAMOKXLBIRQ-UHFFFAOYSA-N
- Formula
- C14H19ClO3
- SMILES
- CCCCCCOC(=O)COc1ccc(Cl)cc1
- Molecular Weight1
- 270.75
- 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 | 0.7586 | Relay (... Calculated Property | |
| ΔfG° | -181.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -564.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.78 | kJ/mol | Relay (... Calculated Property |
| IE | 8.30 | eV | Relay (... Calculated Property |
| log10WS | -4.82 | Relay (... Calculated Property | |
| logPoct/wat | 3.842 | Crippen Calculated Property | |
| McVol | 209.910 | ml/mol | McGowan Calculated Property |
| Pc | 1968.30 | kPa | Joback Calculated Property |
| Inp | [2485.00; 2485.00] |
|
|
| Inp | 2485.00 | NIST | |
| Inp | 2485.00 | NIST | |
| Tboil | 603.75 | K | Relay (... Calculated Property |
| Tc | 791.54 | K | Relay (... Calculated Property |
| Tfus | 295.35 | K | Relay (... Calculated Property |
| Vc | 0.776 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.60; 625.67] | J/mol×K | [687.52; 890.48] |
|
| Cp,gas | 549.60 | J/mol×K | 687.52 | Joback Calculated Property |
| Cp,gas | 564.42 | J/mol×K | 721.35 | Joback Calculated Property |
| Cp,gas | 578.37 | J/mol×K | 755.17 | Joback Calculated Property |
| Cp,gas | 591.46 | J/mol×K | 789.00 | Joback Calculated Property |
| Cp,gas | 603.70 | J/mol×K | 822.83 | Joback Calculated Property |
| Cp,gas | 615.10 | J/mol×K | 856.66 | Joback Calculated Property |
| Cp,gas | 625.67 | J/mol×K | 890.48 | Joback Calculated Property |
| η | [0.0001085; 0.0010061] | Pa×s | [410.79; 687.52] |
|
| η | 0.0010061 | Pa×s | 410.79 | Joback Calculated Property |
| η | 0.0005756 | Pa×s | 456.91 | Joback Calculated Property |
| η | 0.0003648 | Pa×s | 503.03 | Joback Calculated Property |
| η | 0.0002496 | Pa×s | 549.15 | Joback Calculated Property |
| η | 0.0001812 | Pa×s | 595.28 | Joback Calculated Property |
| η | 0.0001377 | Pa×s | 641.40 | Joback Calculated Property |
| η | 0.0001085 | Pa×s | 687.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (4-chlorophenoxy)-, hexyl ester.
Sources
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