- InChI
- InChI=1S/C21H22O5/c1-2-3-4-5-13-25-20(23)17-7-6-8-18(14-17)21(24)26-19-11-9-16(15-22)10-12-19/h6-12,14-15H,2-5,13H2,1H3
- InChI Key
- RAHJVMVBTGGAGP-UHFFFAOYSA-N
- Formula
- C21H22O5
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2ccc
(C=O)cc2)c1 - Molecular Weight1
- 354.40
- 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° | -235.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.25 | kJ/mol | Joback Calculated Property |
| log10WS | -6.14 | Crippen Calculated Property | |
| logPoct/wat | 4.455 | Crippen Calculated Property | |
| McVol | 275.680 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Joback Calculated Property |
| Inp | [3030.00; 3030.00] |
|
|
| Inp | 3030.00 | NIST | |
| Inp | 3030.00 | NIST | |
| Tboil | 944.44 | K | Joback Calculated Property |
| Tc | 1171.66 | K | Joback Calculated Property |
| Tfus | 590.63 | K | Joback Calculated Property |
| Vc | 1.060 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [848.27; 901.37] | J/mol×K | [944.44; 1171.66] |
|
| Cp,gas | 848.27 | J/mol×K | 944.44 | Joback Calculated Property |
| Cp,gas | 860.27 | J/mol×K | 982.31 | Joback Calculated Property |
| Cp,gas | 870.96 | J/mol×K | 1020.18 | Joback Calculated Property |
| Cp,gas | 880.38 | J/mol×K | 1058.05 | Joback Calculated Property |
| Cp,gas | 888.57 | J/mol×K | 1095.92 | Joback Calculated Property |
| Cp,gas | 895.55 | J/mol×K | 1133.79 | Joback Calculated Property |
| Cp,gas | 901.37 | J/mol×K | 1171.66 | Joback Calculated Property |
| η | [0.0000538; 0.0004047] | Pa×s | [590.63; 944.44] |
|
| η | 0.0004047 | Pa×s | 590.63 | Joback Calculated Property |
| η | 0.0002482 | Pa×s | 649.60 | Joback Calculated Property |
| η | 0.0001651 | Pa×s | 708.57 | Joback Calculated Property |
| η | 0.0001170 | Pa×s | 767.53 | Joback Calculated Property |
| η | 0.0000870 | Pa×s | 826.50 | Joback Calculated Property |
| η | 0.0000673 | Pa×s | 885.47 | Joback Calculated Property |
| η | 0.0000538 | Pa×s | 944.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-formylphenyl hexyl ester.
Sources
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