- InChI
- InChI=1S/C25H32O4/c1-3-5-6-7-8-12-18-28-24(26)21-16-13-17-22(19-21)25(27)29-23(4-2)20-14-10-9-11-15-20/h9-11,13-17,19,23H,3-8,12,18H2,1-2H3
- InChI Key
- OOWOVZVATJLYLP-UHFFFAOYSA-N
- Formula
- C25H32O4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)OC(C
C)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° | -95.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.38 | kJ/mol | Joback Calculated Property |
| log10WS | -7.80 | Crippen Calculated Property | |
| logPoct/wat | 6.512 | Crippen Calculated Property | |
| McVol | 330.470 | ml/mol | McGowan Calculated Property |
| Pc | 1213.20 | kPa | Joback Calculated Property |
| Inp | [3061.00; 3061.00] |
|
|
| Inp | 3061.00 | NIST | |
| Inp | 3061.00 | NIST | |
| Tboil | 981.88 | K | Joback Calculated Property |
| Tc | 1207.49 | K | Joback Calculated Property |
| Tfus | 566.19 | K | Joback Calculated Property |
| Vc | 1.262 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1077.40; 1144.02] | J/mol×K | [981.88; 1207.49] |
|
| Cp,gas | 1077.40 | J/mol×K | 981.88 | Joback Calculated Property |
| Cp,gas | 1091.93 | J/mol×K | 1019.48 | Joback Calculated Property |
| Cp,gas | 1105.01 | J/mol×K | 1057.08 | Joback Calculated Property |
| Cp,gas | 1116.70 | J/mol×K | 1094.68 | Joback Calculated Property |
| Cp,gas | 1127.06 | J/mol×K | 1132.29 | Joback Calculated Property |
| Cp,gas | 1136.15 | J/mol×K | 1169.89 | Joback Calculated Property |
| Cp,gas | 1144.02 | J/mol×K | 1207.49 | Joback Calculated Property |
| η | [0.0000250; 0.0003304] | Pa×s | [566.19; 981.88] |
|
| η | 0.0003304 | Pa×s | 566.19 | Joback Calculated Property |
| η | 0.0001699 | Pa×s | 635.47 | Joback Calculated Property |
| η | 0.0000996 | Pa×s | 704.75 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 774.03 | Joback Calculated Property |
| η | 0.0000445 | Pa×s | 843.32 | Joback Calculated Property |
| η | 0.0000326 | Pa×s | 912.60 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 981.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, octyl 1-phenylpropyl ester.
Sources
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