- InChI
- InChI=1S/C21H24O4/c1-4-19(16-9-6-5-7-10-16)25-21(23)18-12-8-11-17(13-18)20(22)24-14-15(2)3/h5-13,15,19H,4,14H2,1-3H3
- InChI Key
- LJJOLXHWGOEOGT-UHFFFAOYSA-N
- Formula
- C21H24O4
- SMILES
-
CCC(OC(=O)c1cccc(C(=O)OCC(C)C)
c1)c1ccccc1 - Molecular Weight1
- 340.41
- 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° | -131.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -515.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.09 | kJ/mol | Joback Calculated Property |
| log10WS | -5.88 | Crippen Calculated Property | |
| logPoct/wat | 4.807 | Crippen Calculated Property | |
| McVol | 274.110 | ml/mol | McGowan Calculated Property |
| Pc | 1627.22 | kPa | Joback Calculated Property |
| Inp | [2592.00; 2592.00] |
|
|
| Inp | 2592.00 | NIST | |
| Inp | 2592.00 | NIST | |
| Tboil | 889.92 | K | Joback Calculated Property |
| Tc | 1117.61 | K | Joback Calculated Property |
| Tfus | 506.11 | K | Joback Calculated Property |
| Vc | 1.032 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [840.36; 907.70] | J/mol×K | [889.92; 1117.61] |
|
| Cp,gas | 840.36 | J/mol×K | 889.92 | Joback Calculated Property |
| Cp,gas | 854.90 | J/mol×K | 927.87 | Joback Calculated Property |
| Cp,gas | 868.06 | J/mol×K | 965.82 | Joback Calculated Property |
| Cp,gas | 879.88 | J/mol×K | 1003.76 | Joback Calculated Property |
| Cp,gas | 890.39 | J/mol×K | 1041.71 | Joback Calculated Property |
| Cp,gas | 899.65 | J/mol×K | 1079.66 | Joback Calculated Property |
| Cp,gas | 907.70 | J/mol×K | 1117.61 | Joback Calculated Property |
| η | [0.0000408; 0.0005809] | Pa×s | [506.11; 889.92] |
|
| η | 0.0005809 | Pa×s | 506.11 | Joback Calculated Property |
| η | 0.0002912 | Pa×s | 570.08 | Joback Calculated Property |
| η | 0.0001678 | Pa×s | 634.05 | Joback Calculated Property |
| η | 0.0001069 | Pa×s | 698.02 | Joback Calculated Property |
| η | 0.0000735 | Pa×s | 761.98 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 825.95 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 889.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl 1-phenylpropyl ester.
Sources
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