- InChI
- InChI=1S/C16H21IO4/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
- GFSIZMDPUHDVMA-UHFFFAOYSA-N
- Formula
- C16H21IO4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCc1cccc(I
)c1 - Molecular Weight1
- 404.24
- 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 | -674.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.74 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.704 | Crippen Calculated Property | |
| McVol | 253.240 | ml/mol | McGowan Calculated Property |
| Pc | 1676.91 | kPa | Joback Calculated Property |
| Inp | 2453.00 | NIST | |
| Tboil | 651.93 | K | Relay (1.0) Calculated Property |
| Tc | 852.95 | 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 | [690.50; 755.03] | J/mol×K | [806.48; 1027.67] | 
|
| Cp,gas | 690.50 | J/mol×K | 806.48 | Joback Calculated Property |
| Cp,gas | 704.14 | J/mol×K | 843.35 | Joback Calculated Property |
| Cp,gas | 716.59 | J/mol×K | 880.21 | Joback Calculated Property |
| Cp,gas | 727.87 | J/mol×K | 917.08 | Joback Calculated Property |
| Cp,gas | 738.01 | J/mol×K | 953.94 | Joback Calculated Property |
| Cp,gas | 747.06 | J/mol×K | 990.81 | Joback Calculated Property |
| Cp,gas | 755.03 | J/mol×K | 1027.67 | Joback Calculated Property |
| η | [0.0000501; 0.0011347] | Pa×s | [436.74; 806.48] |
|
| η | 0.0011347 | Pa×s | 436.74 | Joback Calculated Property |
| η | 0.0004892 | Pa×s | 498.36 | Joback Calculated Property |
| η | 0.0002538 | Pa×s | 559.99 | Joback Calculated Property |
| η | 0.0001500 | Pa×s | 621.61 | Joback Calculated Property |
| η | 0.0000974 | Pa×s | 683.23 | Joback Calculated Property |
| η | 0.0000680 | Pa×s | 744.86 | Joback Calculated Property |
| η | 0.0000501 | Pa×s | 806.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-iodobenzyl isobutyl ester.
Sources
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