- InChI
- InChI=1S/C25H24O4/c1-2-3-9-17-28-24(26)20-13-10-14-21(18-20)25(27)29-23-16-8-7-15-22(23)19-11-5-4-6-12-19/h4-8,10-16,18H,2-3,9,17H2,1H3
- InChI Key
- RXKFPALSYXIHLG-UHFFFAOYSA-N
- Formula
- C25H24O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2cccc
c2-c2ccccc2)c1 - Molecular Weight1
- 388.46
- 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° | 9.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.71 | kJ/mol | Joback Calculated Property |
| log10WS | -8.08 | Crippen Calculated Property | |
| logPoct/wat | 5.920 | Crippen Calculated Property | |
| McVol | 306.710 | ml/mol | McGowan Calculated Property |
| Pc | 1522.31 | kPa | Joback Calculated Property |
| Inp | [3119.00; 3119.00] |
|
|
| Inp | 3119.00 | NIST | |
| Inp | 3119.00 | NIST | |
| Tboil | 1013.98 | K | Joback Calculated Property |
| Tc | 1258.41 | K | Joback Calculated Property |
| Tfus | 620.13 | K | Joback Calculated Property |
| Vc | 1.159 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [966.92; 1017.34] | J/mol×K | [1013.98; 1258.41] |
|
| Cp,gas | 966.92 | J/mol×K | 1013.98 | Joback Calculated Property |
| Cp,gas | 978.81 | J/mol×K | 1054.72 | Joback Calculated Property |
| Cp,gas | 989.20 | J/mol×K | 1095.46 | Joback Calculated Property |
| Cp,gas | 998.17 | J/mol×K | 1136.20 | Joback Calculated Property |
| Cp,gas | 1005.81 | J/mol×K | 1176.94 | Joback Calculated Property |
| Cp,gas | 1012.17 | J/mol×K | 1217.68 | Joback Calculated Property |
| Cp,gas | 1017.34 | J/mol×K | 1258.41 | Joback Calculated Property |
| η | [0.0000292; 0.0002455] | Pa×s | [620.13; 1013.98] |
|
| η | 0.0002455 | Pa×s | 620.13 | Joback Calculated Property |
| η | 0.0001453 | Pa×s | 685.77 | Joback Calculated Property |
| η | 0.0000942 | Pa×s | 751.41 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 817.06 | Joback Calculated Property |
| η | 0.0000481 | Pa×s | 882.70 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 948.34 | Joback Calculated Property |
| η | 0.0000292 | Pa×s | 1013.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-biphenyl pentyl ester.
Sources
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