- InChI
- InChI=1S/C19H27ClO4/c1-14(12-19(2,3)4)13-23-17(21)9-6-10-18(22)24-16-8-5-7-15(20)11-16/h5,7-8,11,14H,6,9-10,12-13H2,1-4H3
- InChI Key
- MQFXDJFFMYHJKL-UHFFFAOYSA-N
- Formula
- C19H27ClO4
- SMILES
-
CC(COC(=O)CCCC(=O)Oc1cccc(Cl)c
1)CC(C)(C)C - Molecular Weight1
- 354.87
- 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° | -267.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -729.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.84 | kJ/mol | Joback Calculated Property |
| log10WS | -5.45 | Crippen Calculated Property | |
| logPoct/wat | 5.031 | Crippen Calculated Property | |
| McVol | 281.930 | ml/mol | McGowan Calculated Property |
| Pc | 1430.46 | kPa | Joback Calculated Property |
| Inp | [2382.00; 2382.00] |
|
|
| Inp | 2382.00 | NIST | |
| Inp | 2382.00 | NIST | |
| Tboil | 852.12 | K | Joback Calculated Property |
| Tc | 1064.25 | K | Joback Calculated Property |
| Tfus | 504.49 | K | Joback Calculated Property |
| Vc | 1.071 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [847.86; 921.68] | J/mol×K | [852.12; 1064.25] |
|
| Cp,gas | 847.86 | J/mol×K | 852.12 | Joback Calculated Property |
| Cp,gas | 862.90 | J/mol×K | 887.47 | Joback Calculated Property |
| Cp,gas | 876.79 | J/mol×K | 922.83 | Joback Calculated Property |
| Cp,gas | 889.57 | J/mol×K | 958.18 | Joback Calculated Property |
| Cp,gas | 901.28 | J/mol×K | 993.54 | Joback Calculated Property |
| Cp,gas | 911.97 | J/mol×K | 1028.89 | Joback Calculated Property |
| Cp,gas | 921.68 | J/mol×K | 1064.25 | Joback Calculated Property |
| η | [0.0000394; 0.0005533] | Pa×s | [504.49; 852.12] |
|
| η | 0.0005533 | Pa×s | 504.49 | Joback Calculated Property |
| η | 0.0002839 | Pa×s | 562.43 | Joback Calculated Property |
| η | 0.0001650 | Pa×s | 620.37 | Joback Calculated Property |
| η | 0.0001052 | Pa×s | 678.30 | Joback Calculated Property |
| η | 0.0000720 | Pa×s | 736.24 | Joback Calculated Property |
| η | 0.0000521 | Pa×s | 794.18 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 852.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-chlorophenyl 2,4,4-trimethylpentyl ester.
Sources
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