- InChI
- InChI=1S/C19H27IO4/c1-4-7-17(14(2)3)24-19(22)11-6-10-18(21)23-13-15-8-5-9-16(20)12-15/h5,8-9,12,14,17H,4,6-7,10-11,13H2,1-3H3
- InChI Key
- WHGZNIHEDPWURF-UHFFFAOYSA-N
- Formula
- C19H27IO4
- SMILES
-
CCCC(OC(=O)CCCC(=O)OCc1cccc(I)
c1)C(C)C - Molecular Weight1
- 446.32
- 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° | -202.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.73 | kJ/mol | Joback Calculated Property |
| log10WS | -6.12 | Crippen Calculated Property | |
| logPoct/wat | 4.873 | Crippen Calculated Property | |
| McVol | 295.510 | ml/mol | McGowan Calculated Property |
| Pc | 1434.80 | kPa | Joback Calculated Property |
| Inp | [2662.00; 2662.00] |
|
|
| Inp | 2662.00 | NIST | |
| Inp | 2662.00 | NIST | |
| Tboil | 910.62 | K | Joback Calculated Property |
| Tc | 1133.59 | K | Joback Calculated Property |
| Tfus | 515.21 | K | Joback Calculated Property |
| Vc | 1.115 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [871.72; 938.03] | J/mol×K | [910.62; 1133.59] |
|
| Cp,gas | 871.72 | J/mol×K | 910.62 | Joback Calculated Property |
| Cp,gas | 885.69 | J/mol×K | 947.78 | Joback Calculated Property |
| Cp,gas | 898.45 | J/mol×K | 984.94 | Joback Calculated Property |
| Cp,gas | 910.02 | J/mol×K | 1022.11 | Joback Calculated Property |
| Cp,gas | 920.45 | J/mol×K | 1059.27 | Joback Calculated Property |
| Cp,gas | 929.77 | J/mol×K | 1096.43 | Joback Calculated Property |
| Cp,gas | 938.03 | J/mol×K | 1133.59 | Joback Calculated Property |
| η | [0.0000376; 0.0005807] | Pa×s | [515.21; 910.62] |
|
| η | 0.0005807 | Pa×s | 515.21 | Joback Calculated Property |
| η | 0.0002840 | Pa×s | 581.11 | Joback Calculated Property |
| η | 0.0001607 | Pa×s | 647.01 | Joback Calculated Property |
| η | 0.0001010 | Pa×s | 712.91 | Joback Calculated Property |
| η | 0.0000687 | Pa×s | 778.82 | Joback Calculated Property |
| η | 0.0000496 | Pa×s | 844.72 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 910.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-iodobenzyl 2-methylhex-3-yl ester.
Sources
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