- InChI
- InChI=1S/C18H26O4/c1-17(2,3)11-21-15(19)13-8-7-9-14(10-13)16(20)22-12-18(4,5)6/h7-10H,11-12H2,1-6H3
- InChI Key
- WYEHFCKMWFUROQ-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CC(C)(C)COC(=O)c1cccc(C(=O)OCC
(C)(C)C)c1 - Molecular Weight1
- 306.40
- 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° | -258.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.32 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 4.092 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1600.00 | kPa | Joback Calculated Property |
| Inp | [2096.00; 2096.00] |
|
|
| Inp | 2096.00 | NIST | |
| Inp | 2096.00 | NIST | |
| Tboil | 789.02 | K | Joback Calculated Property |
| Tc | 1003.92 | K | Joback Calculated Property |
| Tfus | 480.72 | K | Joback Calculated Property |
| Vc | 0.962 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [764.44; 845.53] | J/mol×K | [789.02; 1003.92] |
|
| Cp,gas | 764.44 | J/mol×K | 789.02 | Joback Calculated Property |
| Cp,gas | 780.71 | J/mol×K | 824.84 | Joback Calculated Property |
| Cp,gas | 795.79 | J/mol×K | 860.65 | Joback Calculated Property |
| Cp,gas | 809.75 | J/mol×K | 896.47 | Joback Calculated Property |
| Cp,gas | 822.66 | J/mol×K | 932.29 | Joback Calculated Property |
| Cp,gas | 834.56 | J/mol×K | 968.11 | Joback Calculated Property |
| Cp,gas | 845.53 | J/mol×K | 1003.92 | Joback Calculated Property |
| η | [0.0000468; 0.0006338] | Pa×s | [480.72; 789.02] |
|
| η | 0.0006338 | Pa×s | 480.72 | Joback Calculated Property |
| η | 0.0003329 | Pa×s | 532.10 | Joback Calculated Property |
| η | 0.0001959 | Pa×s | 583.49 | Joback Calculated Property |
| η | 0.0001256 | Pa×s | 634.87 | Joback Calculated Property |
| η | 0.0000860 | Pa×s | 686.25 | Joback Calculated Property |
| η | 0.0000621 | Pa×s | 737.64 | Joback Calculated Property |
| η | 0.0000468 | Pa×s | 789.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, dineopentyl ester.
Sources
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