- InChI
- InChI=1S/C15H17ClO4/c1-2-3-10-19-14(17)8-5-9-15(18)20-13-7-4-6-12(16)11-13/h2,4,6-7,11H,1,3,5,8-10H2
- InChI Key
- DUIASDXNKNAHKY-UHFFFAOYSA-N
- Formula
- C15H17ClO4
- SMILES
-
C=CCCOC(=O)CCCC(=O)Oc1cccc(Cl)
c1 - 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° | -213.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -507.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.95 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 3.535 | Crippen Calculated Property | |
| McVol | 221.270 | ml/mol | McGowan Calculated Property |
| Pc | 1984.12 | kPa | Joback Calculated Property |
| Inp | 2151.00 | NIST | |
| Tboil | 760.95 | K | Joback Calculated Property |
| Tc | 971.13 | K | Joback Calculated Property |
| Tfus | 470.23 | K | Joback Calculated Property |
| Vc | 0.846 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.87; 659.96] | J/mol×K | [760.95; 971.13] | 
|
| Cp,gas | 594.87 | J/mol×K | 760.95 | Joback Calculated Property |
| Cp,gas | 608.00 | J/mol×K | 795.98 | Joback Calculated Property |
| Cp,gas | 620.19 | J/mol×K | 831.01 | Joback Calculated Property |
| Cp,gas | 631.47 | J/mol×K | 866.04 | Joback Calculated Property |
| Cp,gas | 641.84 | J/mol×K | 901.07 | Joback Calculated Property |
| Cp,gas | 651.33 | J/mol×K | 936.10 | Joback Calculated Property |
| Cp,gas | 659.96 | J/mol×K | 971.13 | Joback Calculated Property |
| η | [0.0001003; 0.0007951] | Pa×s | [470.23; 760.95] |
|
| η | 0.0007951 | Pa×s | 470.23 | Joback Calculated Property |
| η | 0.0004793 | Pa×s | 518.68 | Joback Calculated Property |
| η | 0.0003150 | Pa×s | 567.14 | Joback Calculated Property |
| η | 0.0002212 | Pa×s | 615.59 | Joback Calculated Property |
| η | 0.0001635 | Pa×s | 664.04 | Joback Calculated Property |
| η | 0.0001260 | Pa×s | 712.50 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 760.95 | Joback Calculated Property |
Similar Compounds
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Sources
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