- InChI
- InChI=1S/C19H25ClO4/c20-17-11-9-16(10-12-17)14-24-19(22)8-4-7-18(21)23-13-15-5-2-1-3-6-15/h9-12,15H,1-8,13-14H2
- InChI Key
- IDJGLQVXSWFXBI-UHFFFAOYSA-N
- Formula
- C19H25ClO4
- SMILES
-
O=C(CCCC(=O)OCC1CCCCC1)OCc1ccc
(Cl)cc1 - Molecular Weight1
- 352.85
- 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° | -243.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.95 | kJ/mol | Joback Calculated Property |
| log10WS | -5.44 | Crippen Calculated Property | |
| logPoct/wat | 4.677 | Crippen Calculated Property | |
| McVol | 271.070 | ml/mol | McGowan Calculated Property |
| Pc | 1644.42 | kPa | Joback Calculated Property |
| Inp | [2705.00; 2705.00] |
|
|
| Inp | 2705.00 | NIST | |
| Inp | 2705.00 | NIST | |
| Tboil | 875.34 | K | Joback Calculated Property |
| Tc | 1099.70 | K | Joback Calculated Property |
| Tfus | 524.45 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [840.52; 911.88] | J/mol×K | [875.34; 1099.70] |
|
| Cp,gas | 840.52 | J/mol×K | 875.34 | Joback Calculated Property |
| Cp,gas | 855.97 | J/mol×K | 912.73 | Joback Calculated Property |
| Cp,gas | 869.95 | J/mol×K | 950.13 | Joback Calculated Property |
| Cp,gas | 882.50 | J/mol×K | 987.52 | Joback Calculated Property |
| Cp,gas | 893.65 | J/mol×K | 1024.91 | Joback Calculated Property |
| Cp,gas | 903.43 | J/mol×K | 1062.30 | Joback Calculated Property |
| Cp,gas | 911.88 | J/mol×K | 1099.70 | Joback Calculated Property |
| η | [0.0000564; 0.0006096] | Pa×s | [524.45; 875.34] |
|
| η | 0.0006096 | Pa×s | 524.45 | Joback Calculated Property |
| η | 0.0003360 | Pa×s | 582.93 | Joback Calculated Property |
| η | 0.0002065 | Pa×s | 641.41 | Joback Calculated Property |
| η | 0.0001376 | Pa×s | 699.89 | Joback Calculated Property |
| η | 0.0000977 | Pa×s | 758.38 | Joback Calculated Property |
| η | 0.0000728 | Pa×s | 816.86 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 875.34 | Joback Calculated Property |
Similar Compounds
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Sources
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