- InChI
- InChI=1S/C21H24O5/c1-15(2)6-5-13-25-20(22)16-7-4-8-17(14-16)21(23)26-19-11-9-18(24-3)10-12-19/h4,7-12,14-15H,5-6,13H2,1-3H3
- InChI Key
- PYVSIZLMLBGAHJ-UHFFFAOYSA-N
- Formula
- C21H24O5
- SMILES
-
COc1ccc(OC(=O)c2cccc(C(=O)OCCC
C(C)C)c2)cc1 - Molecular Weight1
- 356.41
- 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 | 0.9769 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.507 | Crippen Calculated Property | |
| McVol | 279.980 | ml/mol | McGowan Calculated Property |
| Pc | 1575.95 | kPa | Joback Calculated Property |
| Inp | [2931.00; 2931.00] |
|
|
| Inp | 2931.00 | NIST | |
| Inp | 2931.00 | NIST | |
| Tboil | 681.00 | K | Relay (1.0) Calculated Property |
| Tc | 920.10 | K | Relay (1.0) Calculated Property |
| Tfus | 334.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.019 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [866.06; 925.45] | J/mol×K | [917.76; 1143.05] |
|
| Cp,gas | 866.06 | J/mol×K | 917.76 | Joback Calculated Property |
| Cp,gas | 879.54 | J/mol×K | 955.31 | Joback Calculated Property |
| Cp,gas | 891.56 | J/mol×K | 992.86 | Joback Calculated Property |
| Cp,gas | 902.14 | J/mol×K | 1030.40 | Joback Calculated Property |
| Cp,gas | 911.31 | J/mol×K | 1067.95 | Joback Calculated Property |
| Cp,gas | 919.07 | J/mol×K | 1105.50 | Joback Calculated Property |
| Cp,gas | 925.45 | J/mol×K | 1143.05 | Joback Calculated Property |
| η | [0.0000340; 0.0003177] | Pa×s | [555.86; 917.76] |
|
| η | 0.0003177 | Pa×s | 555.86 | Joback Calculated Property |
| η | 0.0001825 | Pa×s | 616.18 | Joback Calculated Property |
| η | 0.0001157 | Pa×s | 676.49 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 736.81 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 797.13 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 857.44 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 917.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl 4-methoxyphenyl ester.
Sources
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