- InChI
- InChI=1S/C12H15ClO2/c13-9-5-2-6-10-15-12(14)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
- InChI Key
- XIOZPPYPTAEPGJ-UHFFFAOYSA-N
- Formula
- C12H15ClO2
- SMILES
- O=C(OCCCCCCl)c1ccccc1
- Molecular Weight1
- 226.70
- CAS
- 55092-47-2
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -83.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.12 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 3.252 | Crippen Calculated Property | |
| McVol | 175.860 | ml/mol | McGowan Calculated Property |
| Pc | 2426.65 | kPa | Joback Calculated Property |
| Tboil | 614.36 | K | Joback Calculated Property |
| Tc | 824.31 | K | Joback Calculated Property |
| Tfus | 353.50 | K | Joback Calculated Property |
| Vc | 0.672 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.99; 495.01] | J/mol×K | [614.36; 824.31] | 
|
| Cp,gas | 421.99 | J/mol×K | 614.36 | Joback Calculated Property |
| Cp,gas | 436.22 | J/mol×K | 649.35 | Joback Calculated Property |
| Cp,gas | 449.60 | J/mol×K | 684.34 | Joback Calculated Property |
| Cp,gas | 462.14 | J/mol×K | 719.33 | Joback Calculated Property |
| Cp,gas | 473.87 | J/mol×K | 754.33 | Joback Calculated Property |
| Cp,gas | 484.82 | J/mol×K | 789.32 | Joback Calculated Property |
| Cp,gas | 495.01 | J/mol×K | 824.31 | Joback Calculated Property |
| η | [0.0001762; 0.0019777] | Pa×s | [353.50; 614.36] |
|
| η | 0.0019777 | Pa×s | 353.50 | Joback Calculated Property |
| η | 0.0010599 | Pa×s | 396.98 | Joback Calculated Property |
| η | 0.0006425 | Pa×s | 440.45 | Joback Calculated Property |
| η | 0.0004261 | Pa×s | 483.93 | Joback Calculated Property |
| η | 0.0003024 | Pa×s | 527.41 | Joback Calculated Property |
| η | 0.0002261 | Pa×s | 570.88 | Joback Calculated Property |
| η | 0.0001762 | Pa×s | 614.36 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 412.50 ± 1.50 | K | 0.20 | NIST |
Similar Compounds
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Sources
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