- InChI
- InChI=1S/C16H21IO4/c1-2-3-10-20-15(18)8-5-9-16(19)21-12-13-6-4-7-14(17)11-13/h4,6-7,11H,2-3,5,8-10,12H2,1H3
- InChI Key
- WCXPCLKJNIKXEB-UHFFFAOYSA-N
- Formula
- C16H21IO4
- SMILES
-
CCCCOC(=O)CCCC(=O)OCc1cccc(I)c
1 - 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° | -223.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -561.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.83 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 3.848 | Crippen Calculated Property | |
| McVol | 253.240 | ml/mol | McGowan Calculated Property |
| Pc | 1783.35 | kPa | Joback Calculated Property |
| Inp | [2500.00; 2500.00] |
|
|
| Inp | 2500.00 | NIST | |
| Inp | 2500.00 | NIST | |
| Tboil | 842.86 | K | Joback Calculated Property |
| Tc | 1064.56 | K | Joback Calculated Property |
| Tfus | 511.40 | K | Joback Calculated Property |
| Vc | 0.960 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [698.57; 762.27] | J/mol×K | [842.86; 1064.56] |
|
| Cp,gas | 698.57 | J/mol×K | 842.86 | Joback Calculated Property |
| Cp,gas | 711.76 | J/mol×K | 879.81 | Joback Calculated Property |
| Cp,gas | 723.88 | J/mol×K | 916.76 | Joback Calculated Property |
| Cp,gas | 734.96 | J/mol×K | 953.71 | Joback Calculated Property |
| Cp,gas | 745.04 | J/mol×K | 990.66 | Joback Calculated Property |
| Cp,gas | 754.13 | J/mol×K | 1027.61 | Joback Calculated Property |
| Cp,gas | 762.27 | J/mol×K | 1064.56 | Joback Calculated Property |
| η | [0.0000704; 0.0006500] | Pa×s | [511.40; 842.86] |
|
| η | 0.0006500 | Pa×s | 511.40 | Joback Calculated Property |
| η | 0.0003746 | Pa×s | 566.64 | Joback Calculated Property |
| η | 0.0002381 | Pa×s | 621.89 | Joback Calculated Property |
| η | 0.0001629 | Pa×s | 677.13 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 732.37 | Joback Calculated Property |
| η | 0.0000895 | Pa×s | 787.62 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 842.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, butyl 3-iodobenzyl ester.
Sources
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