- InChI
- InChI=1S/C23H28O6/c1-4-5-6-7-8-15-28-22(24)17-11-9-12-18(16-17)23(25)29-21-19(26-2)13-10-14-20(21)27-3/h9-14,16H,4-8,15H2,1-3H3
- InChI Key
- HTCKUBUMIUNVMX-UHFFFAOYSA-N
- Formula
- C23H28O6
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)Oc2c(
OC)cccc2OC)c1 - Molecular Weight1
- 400.46
- 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° | -339.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -833.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.46 | kJ/mol | Joback Calculated Property |
| log10WS | -6.55 | Crippen Calculated Property | |
| logPoct/wat | 5.050 | Crippen Calculated Property | |
| McVol | 314.030 | ml/mol | McGowan Calculated Property |
| Pc | 1321.35 | kPa | Joback Calculated Property |
| Inp | 3164.00 | NIST | |
| Tboil | 991.36 | K | Joback Calculated Property |
| Tc | 1218.17 | K | Joback Calculated Property |
| Tfus | 628.15 | K | Joback Calculated Property |
| Vc | 1.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1008.86; 1055.93] | J/mol×K | [991.36; 1218.17] | 
|
| Cp,gas | 1008.86 | J/mol×K | 991.36 | Joback Calculated Property |
| Cp,gas | 1021.01 | J/mol×K | 1029.16 | Joback Calculated Property |
| Cp,gas | 1031.43 | J/mol×K | 1066.96 | Joback Calculated Property |
| Cp,gas | 1040.14 | J/mol×K | 1104.76 | Joback Calculated Property |
| Cp,gas | 1047.12 | J/mol×K | 1142.56 | Joback Calculated Property |
| Cp,gas | 1052.39 | J/mol×K | 1180.36 | Joback Calculated Property |
| Cp,gas | 1055.93 | J/mol×K | 1218.17 | Joback Calculated Property |
| η | [0.0000213; 0.0001517] | Pa×s | [628.15; 991.36] |
|
| η | 0.0001517 | Pa×s | 628.15 | Joback Calculated Property |
| η | 0.0000947 | Pa×s | 688.69 | Joback Calculated Property |
| η | 0.0000638 | Pa×s | 749.22 | Joback Calculated Property |
| η | 0.0000455 | Pa×s | 809.76 | Joback Calculated Property |
| η | 0.0000341 | Pa×s | 870.29 | Joback Calculated Property |
| η | 0.0000265 | Pa×s | 930.83 | Joback Calculated Property |
| η | 0.0000213 | Pa×s | 991.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,6-dimethoxyphenyl heptyl ester.
Sources
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