- InChI
- InChI=1S/C25H32O4/c1-2-3-4-5-6-7-8-9-13-19-28-24(26)21-15-14-16-22(20-21)25(27)29-23-17-11-10-12-18-23/h10-12,14-18,20H,2-9,13,19H2,1H3
- InChI Key
- BCFJGAFOOOWQRU-UHFFFAOYSA-N
- Formula
- C25H32O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
c2ccccc2)c1 - Molecular Weight1
- 396.52
- 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° | -93.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -587.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.77 | kJ/mol | Joback Calculated Property |
| log10WS | -7.99 | Crippen Calculated Property | |
| logPoct/wat | 6.593 | Crippen Calculated Property | |
| McVol | 330.470 | ml/mol | McGowan Calculated Property |
| Pc | 1206.47 | kPa | Joback Calculated Property |
| Inp | 3229.00 | NIST | |
| Tboil | 982.32 | K | Joback Calculated Property |
| Tc | 1206.80 | K | Joback Calculated Property |
| Tfus | 581.19 | K | Joback Calculated Property |
| Vc | 1.268 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1077.01; 1143.97] | J/mol×K | [982.32; 1206.80] | 
|
| Cp,gas | 1077.01 | J/mol×K | 982.32 | Joback Calculated Property |
| Cp,gas | 1091.53 | J/mol×K | 1019.73 | Joback Calculated Property |
| Cp,gas | 1104.62 | J/mol×K | 1057.15 | Joback Calculated Property |
| Cp,gas | 1116.35 | J/mol×K | 1094.56 | Joback Calculated Property |
| Cp,gas | 1126.79 | J/mol×K | 1131.97 | Joback Calculated Property |
| Cp,gas | 1135.97 | J/mol×K | 1169.39 | Joback Calculated Property |
| Cp,gas | 1143.97 | J/mol×K | 1206.80 | Joback Calculated Property |
| η | [0.0000274; 0.0003024] | Pa×s | [581.19; 982.32] |
|
| η | 0.0003024 | Pa×s | 581.19 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 648.05 | Joback Calculated Property |
| η | 0.0001007 | Pa×s | 714.90 | Joback Calculated Property |
| η | 0.0000669 | Pa×s | 781.75 | Joback Calculated Property |
| η | 0.0000474 | Pa×s | 848.61 | Joback Calculated Property |
| η | 0.0000354 | Pa×s | 915.46 | Joback Calculated Property |
| η | 0.0000274 | Pa×s | 982.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, phenyl undecyl ester.
Sources
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