- InChI
- InChI=1S/C16H21ClO4/c1-12(2)10-20-15(18)7-4-8-16(19)21-11-13-5-3-6-14(17)9-13/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3
- InChI Key
- DXOMRNCFAQTQHD-UHFFFAOYSA-N
- Formula
- C16H21ClO4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCc1cccc(C
l)c1 - Molecular Weight1
- 312.79
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -782.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.47 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.753 | Crippen Calculated Property | |
| McVol | 239.660 | ml/mol | McGowan Calculated Property |
| Pc | 1656.49 | kPa | Joback Calculated Property |
| Inp | 2420.00 | NIST | |
| Tboil | 620.15 | K | Relay (1.0) Calculated Property |
| Tc | 814.44 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.87; 737.48] | J/mol×K | [750.77; 955.09] | 
|
| Cp,gas | 665.87 | J/mol×K | 750.77 | Joback Calculated Property |
| Cp,gas | 680.48 | J/mol×K | 784.82 | Joback Calculated Property |
| Cp,gas | 693.99 | J/mol×K | 818.88 | Joback Calculated Property |
| Cp,gas | 706.43 | J/mol×K | 852.93 | Joback Calculated Property |
| Cp,gas | 717.81 | J/mol×K | 886.98 | Joback Calculated Property |
| Cp,gas | 728.16 | J/mol×K | 921.03 | Joback Calculated Property |
| Cp,gas | 737.48 | J/mol×K | 955.09 | Joback Calculated Property |
| η | [0.0000601; 0.0013471] | Pa×s | [408.60; 750.77] |
|
| η | 0.0013471 | Pa×s | 408.60 | Joback Calculated Property |
| η | 0.0005841 | Pa×s | 465.63 | Joback Calculated Property |
| η | 0.0003039 | Pa×s | 522.66 | Joback Calculated Property |
| η | 0.0001798 | Pa×s | 579.68 | Joback Calculated Property |
| η | 0.0001169 | Pa×s | 636.71 | Joback Calculated Property |
| η | 0.0000816 | Pa×s | 693.74 | Joback Calculated Property |
| η | 0.0000601 | Pa×s | 750.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-chlorobenzyl isobutyl ester.
Sources
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