- InChI
- InChI=1S/C21H28Cl2O4/c1-21(2,3)14-10-12-15(13-11-14)26-18(24)8-5-9-19(25)27-17-7-4-6-16(22)20(17)23/h4,6-7,14-15H,5,8-13H2,1-3H3
- InChI Key
- UXNIHVYSVFSRDN-UHFFFAOYSA-N
- Formula
- C21H28Cl2O4
- SMILES
-
CC(C)(C)C1CCC(OC(=O)CCCC(=O)Oc
2cccc(Cl)c2Cl)CC1 - Molecular Weight1
- 415.35
- 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° | -253.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.85 | kJ/mol | Joback Calculated Property |
| log10WS | -6.98 | Crippen Calculated Property | |
| logPoct/wat | 6.217 | Crippen Calculated Property | |
| McVol | 311.490 | ml/mol | McGowan Calculated Property |
| Pc | 1347.68 | kPa | Joback Calculated Property |
| Inp | [3029.00; 3029.00] |
|
|
| Inp | 3029.00 | NIST | |
| Inp | 3029.00 | NIST | |
| Tboil | 955.61 | K | Joback Calculated Property |
| Tc | 1188.95 | K | Joback Calculated Property |
| Tfus | 587.61 | K | Joback Calculated Property |
| Vc | 1.171 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [986.84; 1049.37] | J/mol×K | [955.61; 1188.95] |
|
| Cp,gas | 986.84 | J/mol×K | 955.61 | Joback Calculated Property |
| Cp,gas | 1001.04 | J/mol×K | 994.50 | Joback Calculated Property |
| Cp,gas | 1013.64 | J/mol×K | 1033.39 | Joback Calculated Property |
| Cp,gas | 1024.73 | J/mol×K | 1072.28 | Joback Calculated Property |
| Cp,gas | 1034.34 | J/mol×K | 1111.17 | Joback Calculated Property |
| Cp,gas | 1042.53 | J/mol×K | 1150.06 | Joback Calculated Property |
| Cp,gas | 1049.37 | J/mol×K | 1188.95 | Joback Calculated Property |
| η | [0.0000369; 0.0003463] | Pa×s | [587.61; 955.61] |
|
| η | 0.0003463 | Pa×s | 587.61 | Joback Calculated Property |
| η | 0.0002000 | Pa×s | 648.94 | Joback Calculated Property |
| η | 0.0001269 | Pa×s | 710.28 | Joback Calculated Property |
| η | 0.0000866 | Pa×s | 771.61 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 832.94 | Joback Calculated Property |
| η | 0.0000472 | Pa×s | 894.28 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 955.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl trans-4-tert-butylcyclohexyl ester.
Sources
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