- InChI
- InChI=1S/C21H31ClO5/c1-17-12-13-18(25-2)19(16-17)27-21(24)11-9-10-20(23)26-15-8-6-4-3-5-7-14-22/h12-13,16H,3-11,14-15H2,1-2H3
- InChI Key
- BGDDDXDFTDOEQB-UHFFFAOYSA-N
- Formula
- C21H31ClO5
- SMILES
-
COc1ccc(C)cc1OC(=O)CCCC(=O)OCC
CCCCCCCl - Molecular Weight1
- 398.92
- 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° | -365.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -900.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.05 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 5.202 | Crippen Calculated Property | |
| McVol | 315.980 | ml/mol | McGowan Calculated Property |
| Pc | 1193.17 | kPa | Joback Calculated Property |
| Inp | [2977.00; 2977.00] |
|
|
| Inp | 2977.00 | NIST | |
| Inp | 2977.00 | NIST | |
| Tboil | 928.95 | K | Joback Calculated Property |
| Tc | 1139.76 | K | Joback Calculated Property |
| Tfus | 574.36 | K | Joback Calculated Property |
| Vc | 1.218 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [992.07; 1058.85] | J/mol×K | [928.95; 1139.76] |
|
| Cp,gas | 992.07 | J/mol×K | 928.95 | Joback Calculated Property |
| Cp,gas | 1006.54 | J/mol×K | 964.08 | Joback Calculated Property |
| Cp,gas | 1019.66 | J/mol×K | 999.22 | Joback Calculated Property |
| Cp,gas | 1031.44 | J/mol×K | 1034.35 | Joback Calculated Property |
| Cp,gas | 1041.89 | J/mol×K | 1069.49 | Joback Calculated Property |
| Cp,gas | 1051.02 | J/mol×K | 1104.62 | Joback Calculated Property |
| Cp,gas | 1058.85 | J/mol×K | 1139.76 | Joback Calculated Property |
| η | [0.0000309; 0.0002676] | Pa×s | [574.36; 928.95] |
|
| η | 0.0002676 | Pa×s | 574.36 | Joback Calculated Property |
| η | 0.0001579 | Pa×s | 633.46 | Joback Calculated Property |
| η | 0.0001019 | Pa×s | 692.56 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 751.65 | Joback Calculated Property |
| η | 0.0000514 | Pa×s | 810.75 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 869.85 | Joback Calculated Property |
| η | 0.0000309 | Pa×s | 928.95 | Joback Calculated Property |
Similar Compounds
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Sources
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