- InChI
- InChI=1S/C18H21ClO4/c19-16-8-6-15(7-9-16)13-23-18(21)11-10-17(20)22-12-14-4-2-1-3-5-14/h6-11,14H,1-5,12-13H2/b11-10+
- InChI Key
- OUFFLBQIOSCALW-ZHACJKMWSA-N
- Formula
- C18H21ClO4
- SMILES
-
O=C(C=CC(=O)OCC1CCCCC1)OCc1ccc
(Cl)cc1 - Molecular Weight1
- 336.81
- 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° | -171.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -523.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.68 | kJ/mol | Joback Calculated Property |
| log10WS | -4.87 | Crippen Calculated Property | |
| logPoct/wat | 4.063 | Crippen Calculated Property | |
| McVol | 252.680 | ml/mol | McGowan Calculated Property |
| Pc | 1861.11 | kPa | Joback Calculated Property |
| Inp | [2596.00; 2596.00] |
|
|
| Inp | 2596.00 | NIST | |
| Inp | 2596.00 | NIST | |
| Tboil | 856.62 | K | Joback Calculated Property |
| Tc | 1089.69 | K | Joback Calculated Property |
| Tfus | 508.10 | K | Joback Calculated Property |
| Vc | 0.946 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.45; 825.77] | J/mol×K | [856.62; 1089.69] |
|
| Cp,gas | 755.45 | J/mol×K | 856.62 | Joback Calculated Property |
| Cp,gas | 770.50 | J/mol×K | 895.47 | Joback Calculated Property |
| Cp,gas | 784.16 | J/mol×K | 934.31 | Joback Calculated Property |
| Cp,gas | 796.46 | J/mol×K | 973.16 | Joback Calculated Property |
| Cp,gas | 807.47 | J/mol×K | 1012.00 | Joback Calculated Property |
| Cp,gas | 817.22 | J/mol×K | 1050.85 | Joback Calculated Property |
| Cp,gas | 825.77 | J/mol×K | 1089.69 | Joback Calculated Property |
| η | [0.0000568; 0.0006253] | Pa×s | [508.10; 856.62] |
|
| η | 0.0006253 | Pa×s | 508.10 | Joback Calculated Property |
| η | 0.0003415 | Pa×s | 566.19 | Joback Calculated Property |
| η | 0.0002087 | Pa×s | 624.27 | Joback Calculated Property |
| η | 0.0001387 | Pa×s | 682.36 | Joback Calculated Property |
| η | 0.0000983 | Pa×s | 740.45 | Joback Calculated Property |
| η | 0.0000732 | Pa×s | 798.53 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 856.62 | Joback Calculated Property |
Similar Compounds
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Sources
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