- InChI
- InChI=1S/C18H25IO4/c1-2-3-4-5-12-22-17(20)10-7-11-18(21)23-14-15-8-6-9-16(19)13-15/h6,8-9,13H,2-5,7,10-12,14H2,1H3
- InChI Key
- HKPMCRLFKHSMMG-UHFFFAOYSA-N
- Formula
- C18H25IO4
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OCc1cccc(I
)c1 - Molecular Weight1
- 432.29
- 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° | -206.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -602.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.28 | kJ/mol | Joback Calculated Property |
| log10WS | -5.83 | Crippen Calculated Property | |
| logPoct/wat | 4.628 | Crippen Calculated Property | |
| McVol | 281.420 | ml/mol | McGowan Calculated Property |
| Pc | 1525.88 | kPa | Joback Calculated Property |
| Inp | [2709.00; 2709.00] |
|
|
| Inp | 2709.00 | NIST | |
| Inp | 2709.00 | NIST | |
| Tboil | 888.62 | K | Joback Calculated Property |
| Tc | 1107.61 | K | Joback Calculated Property |
| Tfus | 533.94 | K | Joback Calculated Property |
| Vc | 1.071 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [812.55; 878.08] | J/mol×K | [888.62; 1107.61] |
|
| Cp,gas | 812.55 | J/mol×K | 888.62 | Joback Calculated Property |
| Cp,gas | 826.16 | J/mol×K | 925.12 | Joback Calculated Property |
| Cp,gas | 838.65 | J/mol×K | 961.62 | Joback Calculated Property |
| Cp,gas | 850.05 | J/mol×K | 998.12 | Joback Calculated Property |
| Cp,gas | 860.40 | J/mol×K | 1034.61 | Joback Calculated Property |
| Cp,gas | 869.73 | J/mol×K | 1071.11 | Joback Calculated Property |
| Cp,gas | 878.08 | J/mol×K | 1107.61 | Joback Calculated Property |
| η | [0.0000524; 0.0005232] | Pa×s | [533.94; 888.62] |
|
| η | 0.0005232 | Pa×s | 533.94 | Joback Calculated Property |
| η | 0.0002945 | Pa×s | 593.05 | Joback Calculated Property |
| η | 0.0001839 | Pa×s | 652.17 | Joback Calculated Property |
| η | 0.0001242 | Pa×s | 711.28 | Joback Calculated Property |
| η | 0.0000891 | Pa×s | 770.39 | Joback Calculated Property |
| η | 0.0000670 | Pa×s | 829.51 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 888.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexyl 3-iodobenzyl ester.
Sources
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