- InChI
- InChI=1S/C16H19ClO4/c1-11(2)12(3)21-16(19)9-8-15(18)20-10-13-4-6-14(17)7-5-13/h4-9,11-12H,10H2,1-3H3/b9-8+
- InChI Key
- AMEIIMGIDHGYFG-CMDGGOBGSA-N
- Formula
- C16H19ClO4
- SMILES
-
CC(C)C(C)OC(=O)C=CC(=O)OCc1ccc
(Cl)cc1 - Molecular Weight1
- 310.77
- 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° | -217.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -547.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.03 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 3.527 | Crippen Calculated Property | |
| McVol | 235.360 | ml/mol | McGowan Calculated Property |
| Pc | 1865.94 | kPa | Joback Calculated Property |
| Inp | [2176.00; 2176.00] |
|
|
| Inp | 2176.00 | NIST | |
| Inp | 2176.00 | NIST | |
| Tboil | 790.43 | K | Joback Calculated Property |
| Tc | 1008.24 | K | Joback Calculated Property |
| Tfus | 448.18 | K | Joback Calculated Property |
| Vc | 0.888 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.77; 718.98] | J/mol×K | [790.43; 1008.24] |
|
| Cp,gas | 650.77 | J/mol×K | 790.43 | Joback Calculated Property |
| Cp,gas | 664.64 | J/mol×K | 826.73 | Joback Calculated Property |
| Cp,gas | 677.46 | J/mol×K | 863.03 | Joback Calculated Property |
| Cp,gas | 689.28 | J/mol×K | 899.33 | Joback Calculated Property |
| Cp,gas | 700.12 | J/mol×K | 935.63 | Joback Calculated Property |
| Cp,gas | 710.01 | J/mol×K | 971.94 | Joback Calculated Property |
| Cp,gas | 718.98 | J/mol×K | 1008.24 | Joback Calculated Property |
| η | [0.0000608; 0.0008734] | Pa×s | [448.18; 790.43] |
|
| η | 0.0008734 | Pa×s | 448.18 | Joback Calculated Property |
| η | 0.0004359 | Pa×s | 505.22 | Joback Calculated Property |
| η | 0.0002505 | Pa×s | 562.26 | Joback Calculated Property |
| η | 0.0001594 | Pa×s | 619.31 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 676.35 | Joback Calculated Property |
| η | 0.0000797 | Pa×s | 733.39 | Joback Calculated Property |
| η | 0.0000608 | Pa×s | 790.43 | Joback Calculated Property |
Similar Compounds
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Sources
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