- InChI
- InChI=1S/C15H17ClO4/c1-3-4-9-19-14(17)7-8-15(18)20-13-10-11(2)5-6-12(13)16/h5-8,10H,3-4,9H2,1-2H3/b8-7+
- InChI Key
- FNERJLZUNQETKU-BQYQJAHWSA-N
- Formula
- C15H17ClO4
- SMILES
-
CCCCOC(=O)C=CC(=O)Oc1cc(C)ccc1
Cl - Molecular Weight1
- 296.75
- 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.
- 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° | -230.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -527.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.17 | Crippen Calculated Property | |
| logPoct/wat | 3.453 | Crippen Calculated Property | |
| McVol | 221.270 | ml/mol | McGowan Calculated Property |
| Pc | 1975.31 | kPa | Joback Calculated Property |
| Inp | 2140.00 | NIST | |
| Tboil | 773.41 | K | Joback Calculated Property |
| Tc | 987.91 | K | Joback Calculated Property |
| Tfus | 479.43 | K | Joback Calculated Property |
| Vc | 0.845 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.74; 658.58] | J/mol×K | [773.41; 987.91] | 
|
| Cp,gas | 593.74 | J/mol×K | 773.41 | Joback Calculated Property |
| Cp,gas | 606.78 | J/mol×K | 809.16 | Joback Calculated Property |
| Cp,gas | 618.90 | J/mol×K | 844.91 | Joback Calculated Property |
| Cp,gas | 630.12 | J/mol×K | 880.66 | Joback Calculated Property |
| Cp,gas | 640.46 | J/mol×K | 916.41 | Joback Calculated Property |
| Cp,gas | 649.94 | J/mol×K | 952.16 | Joback Calculated Property |
| Cp,gas | 658.58 | J/mol×K | 987.91 | Joback Calculated Property |
| η | [0.0000825; 0.0006170] | Pa×s | [479.43; 773.41] |
|
| η | 0.0006170 | Pa×s | 479.43 | Joback Calculated Property |
| η | 0.0003777 | Pa×s | 528.43 | Joback Calculated Property |
| η | 0.0002513 | Pa×s | 577.42 | Joback Calculated Property |
| η | 0.0001782 | Pa×s | 626.42 | Joback Calculated Property |
| η | 0.0001328 | Pa×s | 675.42 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 724.41 | Joback Calculated Property |
| η | 0.0000825 | Pa×s | 773.41 | Joback Calculated Property |
Similar Compounds
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Sources
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