- InChI
- InChI=1S/C24H22O4/c1-17(2)16-27-23(25)19-11-8-12-20(15-19)24(26)28-22-14-7-6-13-21(22)18-9-4-3-5-10-18/h3-15,17H,16H2,1-2H3
- InChI Key
- BIOANAXMTJUSBT-UHFFFAOYSA-N
- Formula
- C24H22O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)Oc2ccc
cc2-c2ccccc2)c1 - Molecular Weight1
- 374.43
- 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° | -1.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.09 | kJ/mol | Joback Calculated Property |
| log10WS | -7.42 | Crippen Calculated Property | |
| logPoct/wat | 5.386 | Crippen Calculated Property | |
| McVol | 292.620 | ml/mol | McGowan Calculated Property |
| Pc | 1653.80 | kPa | Joback Calculated Property |
| Inp | [2954.00; 2954.00] |
|
|
| Inp | 2954.00 | NIST | |
| Inp | 2954.00 | NIST | |
| Tboil | 990.66 | K | Joback Calculated Property |
| Tc | 1239.00 | K | Joback Calculated Property |
| Tfus | 593.86 | K | Joback Calculated Property |
| Vc | 1.097 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [908.59; 958.89] | J/mol×K | [990.66; 1239.00] |
|
| Cp,gas | 908.59 | J/mol×K | 990.66 | Joback Calculated Property |
| Cp,gas | 920.58 | J/mol×K | 1032.05 | Joback Calculated Property |
| Cp,gas | 931.03 | J/mol×K | 1073.44 | Joback Calculated Property |
| Cp,gas | 940.01 | J/mol×K | 1114.83 | Joback Calculated Property |
| Cp,gas | 947.60 | J/mol×K | 1156.22 | Joback Calculated Property |
| Cp,gas | 953.87 | J/mol×K | 1197.61 | Joback Calculated Property |
| Cp,gas | 958.89 | J/mol×K | 1239.00 | Joback Calculated Property |
| η | [0.0000307; 0.0002927] | Pa×s | [593.86; 990.66] |
|
| η | 0.0002927 | Pa×s | 593.86 | Joback Calculated Property |
| η | 0.0001665 | Pa×s | 659.99 | Joback Calculated Property |
| η | 0.0001050 | Pa×s | 726.13 | Joback Calculated Property |
| η | 0.0000715 | Pa×s | 792.26 | Joback Calculated Property |
| η | 0.0000517 | Pa×s | 858.39 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 924.53 | Joback Calculated Property |
| η | 0.0000307 | Pa×s | 990.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-biphenyl isobutyl ester.
Sources
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