- 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).
- 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° | -225.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -566.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.44 | kJ/mol | Joback Calculated Property |
| log10WS | -4.75 | Crippen Calculated Property | |
| logPoct/wat | 3.704 | Crippen Calculated Property | |
| McVol | 253.240 | ml/mol | McGowan Calculated Property |
| Pc | 1795.46 | kPa | Joback Calculated Property |
| Inp | 2453.00 | NIST | |
| Tboil | 842.42 | K | Joback Calculated Property |
| Tc | 1067.19 | K | Joback Calculated Property |
| Tfus | 496.40 | K | Joback Calculated Property |
| Vc | 0.954 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.15; 763.20] | J/mol×K | [842.42; 1067.19] | 
|
| Cp,gas | 699.15 | J/mol×K | 842.42 | Joback Calculated Property |
| Cp,gas | 712.49 | J/mol×K | 879.88 | Joback Calculated Property |
| Cp,gas | 724.73 | J/mol×K | 917.34 | Joback Calculated Property |
| Cp,gas | 735.89 | J/mol×K | 954.80 | Joback Calculated Property |
| Cp,gas | 746.01 | J/mol×K | 992.27 | Joback Calculated Property |
| Cp,gas | 755.10 | J/mol×K | 1029.73 | Joback Calculated Property |
| Cp,gas | 763.20 | J/mol×K | 1067.19 | Joback Calculated Property |
| η | [0.0000645; 0.0007277] | Pa×s | [496.40; 842.42] |
|
| η | 0.0007277 | Pa×s | 496.40 | Joback Calculated Property |
| η | 0.0003938 | Pa×s | 554.07 | Joback Calculated Property |
| η | 0.0002392 | Pa×s | 611.74 | Joback Calculated Property |
| η | 0.0001584 | Pa×s | 669.41 | Joback Calculated Property |
| η | 0.0001119 | Pa×s | 727.08 | Joback Calculated Property |
| η | 0.0000833 | Pa×s | 784.75 | Joback Calculated Property |
| η | 0.0000645 | Pa×s | 842.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-iodobenzyl isobutyl ester.
Sources
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