- InChI
- InChI=1S/C20H21IO4/c1-2-3-6-13-24-19(22)15-9-11-16(12-10-15)20(23)25-14-17-7-4-5-8-18(17)21/h4-5,7-12H,2-3,6,13-14H2,1H3
- InChI Key
- GCQJVTNIIHMLGS-UHFFFAOYSA-N
- Formula
- C20H21IO4
- SMILES
-
CCCCCOC(=O)c1ccc(C(=O)OCc2cccc
c2I)cc1 - Molecular Weight1
- 452.28
- 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° | -86.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.67 | kJ/mol | Joback Calculated Property |
| log10WS | -6.89 | Crippen Calculated Property | |
| logPoct/wat | 4.995 | Crippen Calculated Property | |
| McVol | 285.840 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Joback Calculated Property |
| Inp | [3186.00; 3186.00] |
|
|
| Inp | 3186.00 | NIST | |
| Inp | 3186.00 | NIST | |
| Tboil | 966.04 | K | Joback Calculated Property |
| Tc | 1209.57 | K | Joback Calculated Property |
| Tfus | 595.42 | K | Joback Calculated Property |
| Vc | 1.075 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [822.42; 873.90] | J/mol×K | [966.04; 1209.57] |
|
| Cp,gas | 822.42 | J/mol×K | 966.04 | Joback Calculated Property |
| Cp,gas | 834.03 | J/mol×K | 1006.63 | Joback Calculated Property |
| Cp,gas | 844.36 | J/mol×K | 1047.22 | Joback Calculated Property |
| Cp,gas | 853.45 | J/mol×K | 1087.81 | Joback Calculated Property |
| Cp,gas | 861.37 | J/mol×K | 1128.40 | Joback Calculated Property |
| Cp,gas | 868.17 | J/mol×K | 1168.98 | Joback Calculated Property |
| Cp,gas | 873.90 | J/mol×K | 1209.57 | Joback Calculated Property |
| η | [0.0000410; 0.0003330] | Pa×s | [595.42; 966.04] |
|
| η | 0.0003330 | Pa×s | 595.42 | Joback Calculated Property |
| η | 0.0001993 | Pa×s | 657.19 | Joback Calculated Property |
| η | 0.0001303 | Pa×s | 718.96 | Joback Calculated Property |
| η | 0.0000912 | Pa×s | 780.73 | Joback Calculated Property |
| η | 0.0000672 | Pa×s | 842.50 | Joback Calculated Property |
| η | 0.0000516 | Pa×s | 904.27 | Joback Calculated Property |
| η | 0.0000410 | Pa×s | 966.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2-iodobenzyl pentyl ester.
Sources
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