- InChI
- InChI=1S/C18H26O5/c1-13(2)14(3)23-18(20)7-5-6-17(19)22-12-15-8-10-16(21-4)11-9-15/h8-11,13-14H,5-7,12H2,1-4H3
- InChI Key
- MDVJBIXIERJAOP-UHFFFAOYSA-N
- Formula
- C18H26O5
- SMILES
-
COc1ccc(COC(=O)CCCC(=O)OC(C)C(
C)C)cc1 - Molecular Weight1
- 322.40
- 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° | -374.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -822.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 3.496 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Pc | 1551.22 | kPa | Joback Calculated Property |
| Inp | [2335.00; 2335.00] |
|
|
| Inp | 2335.00 | NIST | |
| Inp | 2335.00 | NIST | |
| Tboil | 817.02 | K | Joback Calculated Property |
| Tc | 1021.36 | K | Joback Calculated Property |
| Tfus | 468.11 | K | Joback Calculated Property |
| Vc | 0.990 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [791.08; 867.00] | J/mol×K | [817.02; 1021.36] |
|
| Cp,gas | 791.08 | J/mol×K | 817.02 | Joback Calculated Property |
| Cp,gas | 806.64 | J/mol×K | 851.08 | Joback Calculated Property |
| Cp,gas | 821.03 | J/mol×K | 885.13 | Joback Calculated Property |
| Cp,gas | 834.26 | J/mol×K | 919.19 | Joback Calculated Property |
| Cp,gas | 846.33 | J/mol×K | 953.25 | Joback Calculated Property |
| Cp,gas | 857.24 | J/mol×K | 987.30 | Joback Calculated Property |
| Cp,gas | 867.00 | J/mol×K | 1021.36 | Joback Calculated Property |
| η | [0.0000459; 0.0006591] | Pa×s | [468.11; 817.02] |
|
| η | 0.0006591 | Pa×s | 468.11 | Joback Calculated Property |
| η | 0.0003307 | Pa×s | 526.26 | Joback Calculated Property |
| η | 0.0001903 | Pa×s | 584.41 | Joback Calculated Property |
| η | 0.0001211 | Pa×s | 642.57 | Joback Calculated Property |
| η | 0.0000830 | Pa×s | 700.72 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 758.87 | Joback Calculated Property |
| η | 0.0000459 | Pa×s | 817.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 4-methoxybenzyl ester.
Sources
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