- InChI
- InChI=1S/C26H26O5/c1-2-3-7-16-29-25(27)21-11-9-12-22(18-21)26(28)30-19-20-10-8-15-24(17-20)31-23-13-5-4-6-14-23/h4-6,8-15,17-18H,2-3,7,16,19H2,1H3
- InChI Key
- BYJYDCSEQYLEOK-UHFFFAOYSA-N
- Formula
- C26H26O5
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)OCc2ccc
c(Oc3ccccc3)c2)c1 - Molecular Weight1
- 418.48
- 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° | -86.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -515.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.34 | kJ/mol | Joback Calculated Property |
| log10WS | -7.38 | Crippen Calculated Property | |
| logPoct/wat | 6.183 | Crippen Calculated Property | |
| McVol | 326.670 | ml/mol | McGowan Calculated Property |
| Pc | 1396.46 | kPa | Joback Calculated Property |
| Inp | [3354.00; 3354.00] |
|
|
| Inp | 3354.00 | NIST | |
| Inp | 3354.00 | NIST | |
| Tboil | 1059.28 | K | Joback Calculated Property |
| Tc | 1304.55 | K | Joback Calculated Property |
| Tfus | 653.63 | K | Joback Calculated Property |
| Vc | 1.234 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1050.84; 1089.01] | J/mol×K | [1059.28; 1304.55] |
|
| Cp,gas | 1050.84 | J/mol×K | 1059.28 | Joback Calculated Property |
| Cp,gas | 1061.26 | J/mol×K | 1100.16 | Joback Calculated Property |
| Cp,gas | 1069.99 | J/mol×K | 1141.04 | Joback Calculated Property |
| Cp,gas | 1077.06 | J/mol×K | 1181.91 | Joback Calculated Property |
| Cp,gas | 1082.55 | J/mol×K | 1222.79 | Joback Calculated Property |
| Cp,gas | 1086.52 | J/mol×K | 1263.67 | Joback Calculated Property |
| Cp,gas | 1089.01 | J/mol×K | 1304.55 | Joback Calculated Property |
| η | [0.0000186; 0.0001549] | Pa×s | [653.63; 1059.28] |
|
| η | 0.0001549 | Pa×s | 653.63 | Joback Calculated Property |
| η | 0.0000922 | Pa×s | 721.24 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 788.85 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 856.46 | Joback Calculated Property |
| η | 0.0000307 | Pa×s | 924.06 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 991.67 | Joback Calculated Property |
| η | 0.0000186 | Pa×s | 1059.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentyl 3-phenoxybenzyl ester.
Sources
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