- InChI
- InChI=1S/C12H13ClO2/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h2,5-8H,1,3-4,9H2
- InChI Key
- SNNHRVUKBNQLLY-UHFFFAOYSA-N
- Formula
- C12H13ClO2
- SMILES
- C=CCCCOC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 224.68
- 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.
- I : 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° | -5.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -201.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.12 | kJ/mol | Joback Calculated Property |
| log10WS | -3.93 | Crippen Calculated Property | |
| logPoct/wat | 3.463 | Crippen Calculated Property | |
| McVol | 171.560 | ml/mol | McGowan Calculated Property |
| Pc | 2492.52 | kPa | Joback Calculated Property |
| Inp | [1596.00; 1616.00] |
|
|
| Inp | 1596.00 | NIST | |
| Inp | 1606.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Inp | 1610.00 | NIST | |
| I | [2190.00; 2248.00] |
|
|
| I | 2190.00 | NIST | |
| I | 2211.00 | NIST | |
| I | 2229.00 | NIST | |
| I | 2248.00 | NIST | |
| I | 2208.00 | NIST | |
| I | 2221.00 | NIST | |
| Tboil | 616.02 | K | Joback Calculated Property |
| Tc | 831.07 | K | Joback Calculated Property |
| Tfus | 364.26 | K | Joback Calculated Property |
| Vc | 0.653 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.01; 468.31] | J/mol×K | [616.02; 831.07] |
|
| Cp,gas | 400.01 | J/mol×K | 616.02 | Joback Calculated Property |
| Cp,gas | 413.37 | J/mol×K | 651.86 | Joback Calculated Property |
| Cp,gas | 425.91 | J/mol×K | 687.70 | Joback Calculated Property |
| Cp,gas | 437.64 | J/mol×K | 723.55 | Joback Calculated Property |
| Cp,gas | 448.61 | J/mol×K | 759.39 | Joback Calculated Property |
| Cp,gas | 458.82 | J/mol×K | 795.23 | Joback Calculated Property |
| Cp,gas | 468.31 | J/mol×K | 831.07 | Joback Calculated Property |
| η | [0.0001805; 0.0015161] | Pa×s | [364.26; 616.02] |
|
| η | 0.0015161 | Pa×s | 364.26 | Joback Calculated Property |
| η | 0.0008854 | Pa×s | 406.22 | Joback Calculated Property |
| η | 0.0005718 | Pa×s | 448.18 | Joback Calculated Property |
| η | 0.0003980 | Pa×s | 490.14 | Joback Calculated Property |
| η | 0.0002933 | Pa×s | 532.10 | Joback Calculated Property |
| η | 0.0002260 | Pa×s | 574.06 | Joback Calculated Property |
| η | 0.0001805 | Pa×s | 616.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-chloro, 4-pentenyl ester.
Sources
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