- InChI
- InChI=1S/C21H31IO4/c1-2-3-4-5-6-7-10-16-25-20(23)14-11-15-21(24)26-17-18-12-8-9-13-19(18)22/h8-9,12-13H,2-7,10-11,14-17H2,1H3
- InChI Key
- YCHWALCBXWZQQA-UHFFFAOYSA-N
- Formula
- C21H31IO4
- SMILES
-
CCCCCCCCCOC(=O)CCCC(=O)OCc1ccc
cc1I - Molecular Weight1
- 474.37
- 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° | -181.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.96 | kJ/mol | Joback Calculated Property |
| log10WS | -7.08 | Crippen Calculated Property | |
| logPoct/wat | 5.798 | Crippen Calculated Property | |
| McVol | 323.690 | ml/mol | McGowan Calculated Property |
| Pc | 1232.88 | kPa | Joback Calculated Property |
| Inp | [2996.00; 2996.00] |
|
|
| Inp | 2996.00 | NIST | |
| Inp | 2996.00 | NIST | |
| Tboil | 957.26 | K | Joback Calculated Property |
| Tc | 1177.82 | K | Joback Calculated Property |
| Tfus | 567.75 | K | Joback Calculated Property |
| Vc | 1.240 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [989.07; 1056.38] | J/mol×K | [957.26; 1177.82] |
|
| Cp,gas | 989.07 | J/mol×K | 957.26 | Joback Calculated Property |
| Cp,gas | 1003.20 | J/mol×K | 994.02 | Joback Calculated Property |
| Cp,gas | 1016.10 | J/mol×K | 1030.78 | Joback Calculated Property |
| Cp,gas | 1027.83 | J/mol×K | 1067.54 | Joback Calculated Property |
| Cp,gas | 1038.42 | J/mol×K | 1104.30 | Joback Calculated Property |
| Cp,gas | 1047.92 | J/mol×K | 1141.06 | Joback Calculated Property |
| Cp,gas | 1056.38 | J/mol×K | 1177.82 | Joback Calculated Property |
| η | [0.0000331; 0.0003687] | Pa×s | [567.75; 957.26] |
|
| η | 0.0003687 | Pa×s | 567.75 | Joback Calculated Property |
| η | 0.0002008 | Pa×s | 632.67 | Joback Calculated Property |
| η | 0.0001225 | Pa×s | 697.59 | Joback Calculated Property |
| η | 0.0000813 | Pa×s | 762.50 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 827.42 | Joback Calculated Property |
| η | 0.0000428 | Pa×s | 892.34 | Joback Calculated Property |
| η | 0.0000331 | Pa×s | 957.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-iodobenzyl nonyl ester.
Sources
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