- InChI
- InChI=1S/C17H23ClO4/c1-4-10-21-15(19)17(5-2,6-3)16(20)22-12-13-8-7-9-14(18)11-13/h7-9,11H,4-6,10,12H2,1-3H3
- InChI Key
- IAACNAUBBBRQRJ-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)OCc1ccc
c(Cl)c1 - Molecular Weight1
- 326.81
- 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° | -281.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -683.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.71 | Crippen Calculated Property | |
| logPoct/wat | 4.143 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Pc | 1652.46 | kPa | Joback Calculated Property |
| Inp | [2074.00; 2074.00] |
|
|
| Inp | 2074.00 | NIST | |
| Inp | 2074.00 | NIST | |
| Tboil | 806.80 | K | Joback Calculated Property |
| Tc | 1018.69 | K | Joback Calculated Property |
| Tfus | 496.95 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [732.92; 804.50] | J/mol×K | [806.80; 1018.69] |
|
| Cp,gas | 732.92 | J/mol×K | 806.80 | Joback Calculated Property |
| Cp,gas | 747.41 | J/mol×K | 842.11 | Joback Calculated Property |
| Cp,gas | 760.83 | J/mol×K | 877.43 | Joback Calculated Property |
| Cp,gas | 773.21 | J/mol×K | 912.74 | Joback Calculated Property |
| Cp,gas | 784.59 | J/mol×K | 948.06 | Joback Calculated Property |
| Cp,gas | 795.00 | J/mol×K | 983.37 | Joback Calculated Property |
| Cp,gas | 804.50 | J/mol×K | 1018.69 | Joback Calculated Property |
| η | [0.0000579; 0.0006071] | Pa×s | [496.95; 806.80] |
|
| η | 0.0006071 | Pa×s | 496.95 | Joback Calculated Property |
| η | 0.0003412 | Pa×s | 548.59 | Joback Calculated Property |
| η | 0.0002118 | Pa×s | 600.23 | Joback Calculated Property |
| η | 0.0001417 | Pa×s | 651.88 | Joback Calculated Property |
| η | 0.0001006 | Pa×s | 703.52 | Joback Calculated Property |
| η | 0.0000749 | Pa×s | 755.16 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 806.80 | Joback Calculated Property |
Similar Compounds
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Sources
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