- InChI
- InChI=1S/C21H24O5/c1-3-4-5-6-14-25-20(22)16-8-7-9-17(15-16)21(23)26-19-12-10-18(24-2)11-13-19/h7-13,15H,3-6,14H2,1-2H3
- InChI Key
- QLXJBIKDFSPTCA-UHFFFAOYSA-N
- Formula
- C21H24O5
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2ccc
(OC)cc2)c1 - Molecular Weight1
- 356.41
- 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° | -241.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.94 | kJ/mol | Joback Calculated Property |
| log10WS | -6.01 | Crippen Calculated Property | |
| logPoct/wat | 4.652 | Crippen Calculated Property | |
| McVol | 279.980 | ml/mol | McGowan Calculated Property |
| Pc | 1565.99 | kPa | Joback Calculated Property |
| Inp | [2985.00; 2985.00] |
|
|
| Inp | 2985.00 | NIST | |
| Inp | 2985.00 | NIST | |
| Tboil | 918.20 | K | Joback Calculated Property |
| Tc | 1141.23 | K | Joback Calculated Property |
| Tfus | 570.86 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [865.55; 925.00] | J/mol×K | [918.20; 1141.23] |
|
| Cp,gas | 865.55 | J/mol×K | 918.20 | Joback Calculated Property |
| Cp,gas | 878.94 | J/mol×K | 955.37 | Joback Calculated Property |
| Cp,gas | 890.91 | J/mol×K | 992.54 | Joback Calculated Property |
| Cp,gas | 901.49 | J/mol×K | 1029.71 | Joback Calculated Property |
| Cp,gas | 910.68 | J/mol×K | 1066.88 | Joback Calculated Property |
| Cp,gas | 918.51 | J/mol×K | 1104.05 | Joback Calculated Property |
| Cp,gas | 925.00 | J/mol×K | 1141.23 | Joback Calculated Property |
| η | [0.0000373; 0.0002929] | Pa×s | [570.86; 918.20] |
|
| η | 0.0002929 | Pa×s | 570.86 | Joback Calculated Property |
| η | 0.0001774 | Pa×s | 628.75 | Joback Calculated Property |
| η | 0.0001169 | Pa×s | 686.64 | Joback Calculated Property |
| η | 0.0000822 | Pa×s | 744.53 | Joback Calculated Property |
| η | 0.0000608 | Pa×s | 802.42 | Joback Calculated Property |
| η | 0.0000468 | Pa×s | 860.31 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 918.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl 4-methoxyphenyl ester.
Sources
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