- InChI
- InChI=1S/C20H30O4/c1-5-15(6-2)13-23-19(21)17-10-9-11-18(12-17)20(22)24-14-16(7-3)8-4/h9-12,15-16H,5-8,13-14H2,1-4H3
- InChI Key
- FBHBQBWUWMWLQU-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCC(CC)COC(=O)c1cccc(C(=O)OCC(
CC)CC)c1 - Molecular Weight1
- 334.45
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9062 | Relay (1.0) Calculated Property | |
| ΔfG° | -252.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -884.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.873 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1357.63 | kPa | Joback Calculated Property |
| Inp | 2361.00 | NIST | |
| Tboil | 637.08 | K | Relay (1.0) Calculated Property |
| Tc | 835.46 | K | Relay (1.0) Calculated Property |
| Tfus | 253.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.031 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [878.75; 959.75] | J/mol×K | [840.36; 1043.99] | 
|
| Cp,gas | 878.75 | J/mol×K | 840.36 | Joback Calculated Property |
| Cp,gas | 895.15 | J/mol×K | 874.30 | Joback Calculated Property |
| Cp,gas | 910.36 | J/mol×K | 908.24 | Joback Calculated Property |
| Cp,gas | 924.40 | J/mol×K | 942.18 | Joback Calculated Property |
| Cp,gas | 937.29 | J/mol×K | 976.12 | Joback Calculated Property |
| Cp,gas | 949.07 | J/mol×K | 1010.06 | Joback Calculated Property |
| Cp,gas | 959.75 | J/mol×K | 1043.99 | Joback Calculated Property |
| η | [0.0000460; 0.0007750] | Pa×s | [468.42; 840.36] |
|
| η | 0.0007750 | Pa×s | 468.42 | Joback Calculated Property |
| η | 0.0003677 | Pa×s | 530.41 | Joback Calculated Property |
| η | 0.0002040 | Pa×s | 592.40 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 654.39 | Joback Calculated Property |
| η | 0.0000852 | Pa×s | 716.38 | Joback Calculated Property |
| η | 0.0000611 | Pa×s | 778.37 | Joback Calculated Property |
| η | 0.0000460 | Pa×s | 840.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(2-ethylbutyl) ester.
Sources
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