- InChI
- InChI=1S/C11H13ClO2/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
- InChI Key
- XFFQVVCNZAYQSJ-UHFFFAOYSA-N
- Formula
- C11H13ClO2
- SMILES
- O=C(OCCCCCl)c1ccccc1
- Molecular Weight1
- 212.67
- CAS
- 946-02-1
- 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° | -91.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.90 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 2.862 | Crippen Calculated Property | |
| McVol | 161.770 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Tboil | 591.48 | K | Joback Calculated Property |
| Tc | 804.91 | K | Joback Calculated Property |
| Tfus | 342.23 | K | Joback Calculated Property |
| Vc | 0.617 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.49; 442.93] | J/mol×K | [591.48; 804.91] | 
|
| Cp,gas | 373.49 | J/mol×K | 591.48 | Joback Calculated Property |
| Cp,gas | 387.05 | J/mol×K | 627.05 | Joback Calculated Property |
| Cp,gas | 399.78 | J/mol×K | 662.62 | Joback Calculated Property |
| Cp,gas | 411.71 | J/mol×K | 698.20 | Joback Calculated Property |
| Cp,gas | 422.86 | J/mol×K | 733.77 | Joback Calculated Property |
| Cp,gas | 433.26 | J/mol×K | 769.34 | Joback Calculated Property |
| Cp,gas | 442.93 | J/mol×K | 804.91 | Joback Calculated Property |
| η | [0.0001952; 0.0020741] | Pa×s | [342.23; 591.48] |
|
| η | 0.0020741 | Pa×s | 342.23 | Joback Calculated Property |
| η | 0.0011303 | Pa×s | 383.77 | Joback Calculated Property |
| η | 0.0006935 | Pa×s | 425.31 | Joback Calculated Property |
| η | 0.0004642 | Pa×s | 466.86 | Joback Calculated Property |
| η | 0.0003317 | Pa×s | 508.40 | Joback Calculated Property |
| η | 0.0002494 | Pa×s | 549.94 | Joback Calculated Property |
| η | 0.0001952 | Pa×s | 591.48 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 414.50 ± 1.50 | K | 0.70 | NIST |
Similar Compounds
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Sources
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