- InChI
- InChI=1S/C17H23IO4/c1-2-3-4-7-12-21-16(19)10-11-17(20)22-13-14-8-5-6-9-15(14)18/h5-6,8-9H,2-4,7,10-13H2,1H3
- InChI Key
- UPWAXJREDOSABG-UHFFFAOYSA-N
- Formula
- C17H23IO4
- SMILES
- CCCCCCOC(=O)CCC(=O)OCc1ccccc1I
- Molecular Weight1
- 418.27
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8484 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -671.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.238 | Crippen Calculated Property | |
| McVol | 267.330 | ml/mol | McGowan Calculated Property |
| Pc | 1647.09 | kPa | Joback Calculated Property |
| Inp | [2544.00; 2544.00] |
|
|
| Inp | 2544.00 | NIST | |
| Inp | 2544.00 | NIST | |
| Tboil | 657.59 | K | Relay (1.0) Calculated Property |
| Tc | 858.32 | K | Relay (1.0) Calculated Property |
| Tfus | 297.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.955 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.15; 819.86] | J/mol×K | [865.74; 1085.74] |
|
| Cp,gas | 755.15 | J/mol×K | 865.74 | Joback Calculated Property |
| Cp,gas | 768.56 | J/mol×K | 902.41 | Joback Calculated Property |
| Cp,gas | 780.88 | J/mol×K | 939.07 | Joback Calculated Property |
| Cp,gas | 792.14 | J/mol×K | 975.74 | Joback Calculated Property |
| Cp,gas | 802.37 | J/mol×K | 1012.41 | Joback Calculated Property |
| Cp,gas | 811.59 | J/mol×K | 1049.07 | Joback Calculated Property |
| Cp,gas | 819.86 | J/mol×K | 1085.74 | Joback Calculated Property |
| η | [0.0000608; 0.0005842] | Pa×s | [522.67; 865.74] |
|
| η | 0.0005842 | Pa×s | 522.67 | Joback Calculated Property |
| η | 0.0003326 | Pa×s | 579.85 | Joback Calculated Property |
| η | 0.0002095 | Pa×s | 637.03 | Joback Calculated Property |
| η | 0.0001424 | Pa×s | 694.20 | Joback Calculated Property |
| η | 0.0001027 | Pa×s | 751.38 | Joback Calculated Property |
| η | 0.0000775 | Pa×s | 808.56 | Joback Calculated Property |
| η | 0.0000608 | Pa×s | 865.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hexyl 2-iodobenzyl ester.
Sources
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