- InChI
- InChI=1S/C21H29ClO5/c1-17(23)18-11-13-19(14-12-18)27-21(25)10-8-9-20(24)26-16-7-5-3-2-4-6-15-22/h11-14H,2-10,15-16H2,1H3
- InChI Key
- XHNYYPZCPYUGGA-UHFFFAOYSA-N
- Formula
- C21H29ClO5
- SMILES
-
CC(=O)c1ccc(OC(=O)CCCC(=O)OCCC
CCCCCCl)cc1 - Molecular Weight1
- 396.90
- 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° | -379.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.72 | kJ/mol | Joback Calculated Property |
| log10WS | -6.07 | Crippen Calculated Property | |
| logPoct/wat | 5.087 | Crippen Calculated Property | |
| McVol | 311.680 | ml/mol | McGowan Calculated Property |
| Pc | 1275.51 | kPa | Joback Calculated Property |
| Inp | [3165.00; 3165.00] |
|
|
| Inp | 3165.00 | NIST | |
| Inp | 3165.00 | NIST | |
| Tboil | 955.42 | K | Joback Calculated Property |
| Tc | 1172.11 | K | Joback Calculated Property |
| Tfus | 589.54 | K | Joback Calculated Property |
| Vc | 1.206 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [977.30; 1038.31] | J/mol×K | [955.42; 1172.11] |
|
| Cp,gas | 977.30 | J/mol×K | 955.42 | Joback Calculated Property |
| Cp,gas | 990.58 | J/mol×K | 991.54 | Joback Calculated Property |
| Cp,gas | 1002.57 | J/mol×K | 1027.65 | Joback Calculated Property |
| Cp,gas | 1013.31 | J/mol×K | 1063.77 | Joback Calculated Property |
| Cp,gas | 1022.82 | J/mol×K | 1099.88 | Joback Calculated Property |
| Cp,gas | 1031.15 | J/mol×K | 1136.00 | Joback Calculated Property |
| Cp,gas | 1038.31 | J/mol×K | 1172.11 | Joback Calculated Property |
| η | [0.0000386; 0.0003568] | Pa×s | [589.54; 955.42] |
|
| η | 0.0003568 | Pa×s | 589.54 | Joback Calculated Property |
| η | 0.0002070 | Pa×s | 650.52 | Joback Calculated Property |
| η | 0.0001318 | Pa×s | 711.50 | Joback Calculated Property |
| η | 0.0000902 | Pa×s | 772.48 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 833.46 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 894.44 | Joback Calculated Property |
| η | 0.0000386 | Pa×s | 955.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-acetylphenyl ester.
Sources
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