- InChI
- InChI=1S/C20H22O4/c1-15(2)14-24-20(22)18-10-6-9-17(13-18)19(21)23-12-11-16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3
- InChI Key
- WFAMPQKQBRXWEV-UHFFFAOYSA-N
- Formula
- C20H22O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)OCCc2c
cccc2)c1 - Molecular Weight1
- 326.39
- 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° | -137.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -489.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.25 | kJ/mol | Joback Calculated Property |
| log10WS | -5.00 | Crippen Calculated Property | |
| logPoct/wat | 3.899 | Crippen Calculated Property | |
| McVol | 260.020 | ml/mol | McGowan Calculated Property |
| Pc | 1749.21 | kPa | Joback Calculated Property |
| Inp | [2616.00; 2616.00] |
|
|
| Inp | 2616.00 | NIST | |
| Inp | 2616.00 | NIST | |
| Tboil | 867.48 | K | Joback Calculated Property |
| Tc | 1094.18 | K | Joback Calculated Property |
| Tfus | 509.84 | K | Joback Calculated Property |
| Vc | 0.982 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [782.03; 849.06] | J/mol×K | [867.48; 1094.18] |
|
| Cp,gas | 782.03 | J/mol×K | 867.48 | Joback Calculated Property |
| Cp,gas | 796.39 | J/mol×K | 905.26 | Joback Calculated Property |
| Cp,gas | 809.41 | J/mol×K | 943.05 | Joback Calculated Property |
| Cp,gas | 821.16 | J/mol×K | 980.83 | Joback Calculated Property |
| Cp,gas | 831.65 | J/mol×K | 1018.61 | Joback Calculated Property |
| Cp,gas | 840.94 | J/mol×K | 1056.40 | Joback Calculated Property |
| Cp,gas | 849.06 | J/mol×K | 1094.18 | Joback Calculated Property |
| η | [0.0000514; 0.0005734] | Pa×s | [509.84; 867.48] |
|
| η | 0.0005734 | Pa×s | 509.84 | Joback Calculated Property |
| η | 0.0003108 | Pa×s | 569.45 | Joback Calculated Property |
| η | 0.0001892 | Pa×s | 629.05 | Joback Calculated Property |
| η | 0.0001255 | Pa×s | 688.66 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 748.27 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 807.87 | Joback Calculated Property |
| η | 0.0000514 | Pa×s | 867.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl phenylethyl ester.
Sources
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