- InChI
- InChI=1S/C15H15Cl3O4/c1-2-3-7-21-13(19)5-4-6-14(20)22-15-11(17)8-10(16)9-12(15)18/h2,8-9H,1,3-7H2
- InChI Key
- MZEWEWXBTKDSOP-UHFFFAOYSA-N
- Formula
- C15H15Cl3O4
- SMILES
-
C=CCCOC(=O)CCCC(=O)Oc1c(Cl)cc(
Cl)cc1Cl - Molecular Weight1
- 365.64
- 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° | -256.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.04 | kJ/mol | Joback Calculated Property |
| log10WS | -5.49 | Crippen Calculated Property | |
| logPoct/wat | 4.842 | Crippen Calculated Property | |
| McVol | 245.750 | ml/mol | McGowan Calculated Property |
| Pc | 1812.32 | kPa | Joback Calculated Property |
| Inp | [2398.00; 2398.00] |
|
|
| Inp | 2398.00 | NIST | |
| Inp | 2398.00 | NIST | |
| Tboil | 845.77 | K | Joback Calculated Property |
| Tc | 1064.43 | K | Joback Calculated Property |
| Tfus | 555.11 | K | Joback Calculated Property |
| Vc | 0.944 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [637.78; 688.35] | J/mol×K | [845.77; 1064.43] |
|
| Cp,gas | 637.78 | J/mol×K | 845.77 | Joback Calculated Property |
| Cp,gas | 648.53 | J/mol×K | 882.21 | Joback Calculated Property |
| Cp,gas | 658.34 | J/mol×K | 918.66 | Joback Calculated Property |
| Cp,gas | 667.22 | J/mol×K | 955.10 | Joback Calculated Property |
| Cp,gas | 675.17 | J/mol×K | 991.54 | Joback Calculated Property |
| Cp,gas | 682.21 | J/mol×K | 1027.99 | Joback Calculated Property |
| Cp,gas | 688.35 | J/mol×K | 1064.43 | Joback Calculated Property |
| η | [0.0000787; 0.0004420] | Pa×s | [555.11; 845.77] |
|
| η | 0.0004420 | Pa×s | 555.11 | Joback Calculated Property |
| η | 0.0002954 | Pa×s | 603.55 | Joback Calculated Property |
| η | 0.0002096 | Pa×s | 652.00 | Joback Calculated Property |
| η | 0.0001559 | Pa×s | 700.44 | Joback Calculated Property |
| η | 0.0001205 | Pa×s | 748.88 | Joback Calculated Property |
| η | 0.0000961 | Pa×s | 797.33 | Joback Calculated Property |
| η | 0.0000787 | Pa×s | 845.77 | Joback Calculated Property |
Similar Compounds
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Sources
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