- InChI
- InChI=1S/C26H26O4/c1-3-10-19-12-5-7-16-23(19)29-25(27)21-14-9-15-22(18-21)26(28)30-24-17-8-6-13-20(24)11-4-2/h5-9,12-18H,3-4,10-11H2,1-2H3
- InChI Key
- PPVZUGWEWZMALR-UHFFFAOYSA-N
- Formula
- C26H26O4
- SMILES
-
CCCc1ccccc1OC(=O)c1cccc(C(=O)O
c2ccccc2CCC)c1 - Molecular Weight1
- 402.48
- 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 | 1.0302 | Relay (1.0) Calculated Property | |
| ΔfG° | 8.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -507.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.030 | Crippen Calculated Property | |
| McVol | 320.800 | ml/mol | McGowan Calculated Property |
| Pc | 1398.55 | kPa | Joback Calculated Property |
| Inp | [3129.00; 3129.00] |
|
|
| Inp | 3129.00 | NIST | |
| Inp | 3129.00 | NIST | |
| Tboil | 719.16 | K | Relay (1.0) Calculated Property |
| Tc | 1005.84 | K | Relay (1.0) Calculated Property |
| Tfus | 353.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.177 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.63; 1072.61] | J/mol×K | [1041.84; 1286.86] |
|
| Cp,gas | 1024.63 | J/mol×K | 1041.84 | Joback Calculated Property |
| Cp,gas | 1036.26 | J/mol×K | 1082.68 | Joback Calculated Property |
| Cp,gas | 1046.34 | J/mol×K | 1123.51 | Joback Calculated Property |
| Cp,gas | 1054.95 | J/mol×K | 1164.35 | Joback Calculated Property |
| Cp,gas | 1062.15 | J/mol×K | 1205.19 | Joback Calculated Property |
| Cp,gas | 1068.01 | J/mol×K | 1246.02 | Joback Calculated Property |
| Cp,gas | 1072.61 | J/mol×K | 1286.86 | Joback Calculated Property |
| η | [0.0000260; 0.0001999] | Pa×s | [643.92; 1041.84] |
|
| η | 0.0001999 | Pa×s | 643.92 | Joback Calculated Property |
| η | 0.0001214 | Pa×s | 710.24 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 776.56 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 842.88 | Joback Calculated Property |
| η | 0.0000420 | Pa×s | 909.20 | Joback Calculated Property |
| η | 0.0000325 | Pa×s | 975.52 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 1041.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(2-propylphenyl) ester.
Sources
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