- InChI
- InChI=1S/C17H21ClO4/c1-4-15(12(2)3)22-17(20)10-9-16(19)21-11-13-5-7-14(18)8-6-13/h5-10,12,15H,4,11H2,1-3H3/b10-9+
- InChI Key
- HJRGLLKANKNFMH-MDZDMXLPSA-N
- Formula
- C17H21ClO4
- SMILES
-
CCC(OC(=O)C=CC(=O)OCc1ccc(Cl)c
c1)C(C)C - Molecular Weight1
- 324.80
- 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° | -209.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -567.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.25 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 3.917 | Crippen Calculated Property | |
| McVol | 249.450 | ml/mol | McGowan Calculated Property |
| Pc | 1720.31 | kPa | Joback Calculated Property |
| Inp | [2257.00; 2257.00] |
|
|
| Inp | 2257.00 | NIST | |
| Inp | 2257.00 | NIST | |
| Tboil | 813.31 | K | Joback Calculated Property |
| Tc | 1028.90 | K | Joback Calculated Property |
| Tfus | 459.45 | K | Joback Calculated Property |
| Vc | 0.945 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.40; 775.89] | J/mol×K | [813.31; 1028.90] |
|
| Cp,gas | 706.40 | J/mol×K | 813.31 | Joback Calculated Property |
| Cp,gas | 720.54 | J/mol×K | 849.24 | Joback Calculated Property |
| Cp,gas | 733.60 | J/mol×K | 885.17 | Joback Calculated Property |
| Cp,gas | 745.64 | J/mol×K | 921.11 | Joback Calculated Property |
| Cp,gas | 756.68 | J/mol×K | 957.04 | Joback Calculated Property |
| Cp,gas | 766.75 | J/mol×K | 992.97 | Joback Calculated Property |
| Cp,gas | 775.89 | J/mol×K | 1028.90 | Joback Calculated Property |
| η | [0.0000530; 0.0007896] | Pa×s | [459.45; 813.31] |
|
| η | 0.0007896 | Pa×s | 459.45 | Joback Calculated Property |
| η | 0.0003896 | Pa×s | 518.43 | Joback Calculated Property |
| η | 0.0002221 | Pa×s | 577.40 | Joback Calculated Property |
| η | 0.0001405 | Pa×s | 636.38 | Joback Calculated Property |
| η | 0.0000960 | Pa×s | 695.36 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 754.33 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 813.31 | Joback Calculated Property |
Similar Compounds
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Sources
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