- InChI
- InChI=1S/C17H24O5/c1-13(2)11-21-16(18)5-4-6-17(19)22-12-14-7-9-15(20-3)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3
- InChI Key
- NGIXEQXZIAUZIV-UHFFFAOYSA-N
- Formula
- C17H24O5
- SMILES
-
COc1ccc(COC(=O)CCCC(=O)OCC(C)C
)cc1 - Molecular Weight1
- 308.37
- 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 | 0.8733 | Relay (1.0) Calculated Property | |
| ΔfG° | -380.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -894.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.108 | Crippen Calculated Property | |
| McVol | 247.380 | ml/mol | McGowan Calculated Property |
| Pc | 1664.61 | kPa | Joback Calculated Property |
| Inp | 2326.00 | NIST | |
| Tboil | 629.21 | K | Relay (1.0) Calculated Property |
| Tc | 813.21 | K | Relay (1.0) Calculated Property |
| Tfus | 299.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.921 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.23; 808.13] | J/mol×K | [794.58; 997.23] | 
|
| Cp,gas | 733.23 | J/mol×K | 794.58 | Joback Calculated Property |
| Cp,gas | 748.43 | J/mol×K | 828.36 | Joback Calculated Property |
| Cp,gas | 762.53 | J/mol×K | 862.13 | Joback Calculated Property |
| Cp,gas | 775.55 | J/mol×K | 895.91 | Joback Calculated Property |
| Cp,gas | 787.49 | J/mol×K | 929.68 | Joback Calculated Property |
| Cp,gas | 798.35 | J/mol×K | 963.46 | Joback Calculated Property |
| Cp,gas | 808.13 | J/mol×K | 997.23 | Joback Calculated Property |
| η | [0.0000573; 0.0006330] | Pa×s | [471.84; 794.58] |
|
| η | 0.0006330 | Pa×s | 471.84 | Joback Calculated Property |
| η | 0.0003456 | Pa×s | 525.63 | Joback Calculated Property |
| η | 0.0002112 | Pa×s | 579.42 | Joback Calculated Property |
| η | 0.0001403 | Pa×s | 633.21 | Joback Calculated Property |
| η | 0.0000994 | Pa×s | 687.00 | Joback Calculated Property |
| η | 0.0000740 | Pa×s | 740.79 | Joback Calculated Property |
| η | 0.0000573 | Pa×s | 794.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 4-methoxybenzyl ester.
Sources
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