- InChI
- InChI=1S/C18H25ClO4/c1-5-18(6-2,16(20)22-11-13(3)4)17(21)23-12-14-8-7-9-15(19)10-14/h7-10,13H,5-6,11-12H2,1-4H3
- InChI Key
- FIVXLFLYVNFMBI-UHFFFAOYSA-N
- Formula
- C18H25ClO4
- SMILES
-
CCC(CC)(C(=O)OCc1cccc(Cl)c1)C(
=O)OCC(C)C - Molecular Weight1
- 340.84
- 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° | -275.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -709.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 4.389 | Crippen Calculated Property | |
| McVol | 267.840 | ml/mol | McGowan Calculated Property |
| Pc | 1540.29 | kPa | Joback Calculated Property |
| Inp | [2121.00; 2121.00] |
|
|
| Inp | 2121.00 | NIST | |
| Inp | 2121.00 | NIST | |
| Tboil | 829.24 | K | Joback Calculated Property |
| Tc | 1042.39 | K | Joback Calculated Property |
| Tfus | 493.22 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [790.24; 863.30] | J/mol×K | [829.24; 1042.39] |
|
| Cp,gas | 790.24 | J/mol×K | 829.24 | Joback Calculated Property |
| Cp,gas | 805.12 | J/mol×K | 864.76 | Joback Calculated Property |
| Cp,gas | 818.86 | J/mol×K | 900.29 | Joback Calculated Property |
| Cp,gas | 831.50 | J/mol×K | 935.81 | Joback Calculated Property |
| Cp,gas | 843.10 | J/mol×K | 971.34 | Joback Calculated Property |
| Cp,gas | 853.68 | J/mol×K | 1006.86 | Joback Calculated Property |
| Cp,gas | 863.30 | J/mol×K | 1042.39 | Joback Calculated Property |
| η | [0.0000458; 0.0006212] | Pa×s | [493.22; 829.24] |
|
| η | 0.0006212 | Pa×s | 493.22 | Joback Calculated Property |
| η | 0.0003223 | Pa×s | 549.22 | Joback Calculated Property |
| η | 0.0001888 | Pa×s | 605.23 | Joback Calculated Property |
| η | 0.0001211 | Pa×s | 661.23 | Joback Calculated Property |
| η | 0.0000833 | Pa×s | 717.23 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 773.24 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 829.24 | Joback Calculated Property |
Similar Compounds
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Sources
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