- InChI
- InChI=1S/C15H19ClO4/c1-10(2)8-19-14(17)12-4-6-13(7-5-12)15(18)20-9-11(3)16/h4-7,10-11H,8-9H2,1-3H3
- InChI Key
- OXIFJUVHBKBBNV-UHFFFAOYSA-N
- Formula
- C15H19ClO4
- SMILES
-
CC(C)COC(=O)c1ccc(C(=O)OCC(C)C
l)cc1 - Molecular Weight1
- 298.76
- 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° | -306.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.84 | kJ/mol | Joback Calculated Property |
| log10WS | -4.07 | Crippen Calculated Property | |
| logPoct/wat | 3.283 | Crippen Calculated Property | |
| McVol | 225.570 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Inp | 2106.00 | NIST | |
| Tboil | 763.39 | K | Joback Calculated Property |
| Tc | 976.92 | K | Joback Calculated Property |
| Tfus | 441.99 | K | Joback Calculated Property |
| Vc | 0.853 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.20; 690.64] | J/mol×K | [763.39; 976.92] | 
|
| Cp,gas | 621.20 | J/mol×K | 763.39 | Joback Calculated Property |
| Cp,gas | 635.31 | J/mol×K | 798.98 | Joback Calculated Property |
| Cp,gas | 648.39 | J/mol×K | 834.57 | Joback Calculated Property |
| Cp,gas | 660.46 | J/mol×K | 870.16 | Joback Calculated Property |
| Cp,gas | 671.51 | J/mol×K | 905.74 | Joback Calculated Property |
| Cp,gas | 681.57 | J/mol×K | 941.33 | Joback Calculated Property |
| Cp,gas | 690.64 | J/mol×K | 976.92 | Joback Calculated Property |
| η | [0.0000802; 0.0010379] | Pa×s | [441.99; 763.39] |
|
| η | 0.0010379 | Pa×s | 441.99 | Joback Calculated Property |
| η | 0.0005378 | Pa×s | 495.56 | Joback Calculated Property |
| η | 0.0003168 | Pa×s | 549.12 | Joback Calculated Property |
| η | 0.0002050 | Pa×s | 602.69 | Joback Calculated Property |
| η | 0.0001424 | Pa×s | 656.26 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 709.82 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 763.39 | Joback Calculated Property |
Similar Compounds
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Sources
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