- InChI
- InChI=1S/C22H33ClO5/c1-3-4-5-6-7-8-9-10-15-27-21(24)13-14-22(25)28-17-18-11-12-19(23)16-20(18)26-2/h11-12,16H,3-10,13-15,17H2,1-2H3
- InChI Key
- TYGKXTJGRNYOAS-UHFFFAOYSA-N
- Formula
- C22H33ClO5
- SMILES
-
CCCCCCCCCCOC(=O)CCC(=O)OCc1ccc
(Cl)cc1OC - Molecular Weight1
- 412.95
- 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° | -357.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -921.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.27 | kJ/mol | Joback Calculated Property |
| log10WS | -6.74 | Crippen Calculated Property | |
| logPoct/wat | 5.856 | Crippen Calculated Property | |
| McVol | 330.070 | ml/mol | McGowan Calculated Property |
| Pc | 1117.81 | kPa | Joback Calculated Property |
| Inp | [2933.00; 2933.00] |
|
|
| Inp | 2933.00 | NIST | |
| Inp | 2933.00 | NIST | |
| Tboil | 951.83 | K | Joback Calculated Property |
| Tc | 1166.07 | K | Joback Calculated Property |
| Tfus | 585.63 | K | Joback Calculated Property |
| Vc | 1.274 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1052.14; 1118.62] | J/mol×K | [951.83; 1166.07] |
|
| Cp,gas | 1052.14 | J/mol×K | 951.83 | Joback Calculated Property |
| Cp,gas | 1066.77 | J/mol×K | 987.54 | Joback Calculated Property |
| Cp,gas | 1079.95 | J/mol×K | 1023.24 | Joback Calculated Property |
| Cp,gas | 1091.72 | J/mol×K | 1058.95 | Joback Calculated Property |
| Cp,gas | 1102.07 | J/mol×K | 1094.66 | Joback Calculated Property |
| Cp,gas | 1111.04 | J/mol×K | 1130.36 | Joback Calculated Property |
| Cp,gas | 1118.62 | J/mol×K | 1166.07 | Joback Calculated Property |
| η | [0.0000266; 0.0002391] | Pa×s | [585.63; 951.83] |
|
| η | 0.0002391 | Pa×s | 585.63 | Joback Calculated Property |
| η | 0.0001395 | Pa×s | 646.66 | Joback Calculated Property |
| η | 0.0000893 | Pa×s | 707.70 | Joback Calculated Property |
| η | 0.0000614 | Pa×s | 768.73 | Joback Calculated Property |
| η | 0.0000446 | Pa×s | 829.76 | Joback Calculated Property |
| η | 0.0000338 | Pa×s | 890.80 | Joback Calculated Property |
| η | 0.0000266 | Pa×s | 951.83 | Joback Calculated Property |
Similar Compounds
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Sources
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