- InChI
- InChI=1S/C18H26O4/c1-14(2)15(3)22-18(20)11-7-10-17(19)21-13-12-16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3
- InChI Key
- KSQWXHKZPYOBAG-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CC(C)C(C)OC(=O)CCCC(=O)OCCc1cc
ccc1 - 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° | -259.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 3.530 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1591.08 | kPa | Joback Calculated Property |
| Inp | [2133.00; 2133.00] |
|
|
| Inp | 2133.00 | NIST | |
| Inp | 2133.00 | NIST | |
| Tboil | 789.62 | K | Joback Calculated Property |
| Tc | 993.35 | K | Joback Calculated Property |
| Tfus | 433.36 | K | Joback Calculated Property |
| Vc | 0.972 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [763.01; 843.56] | J/mol×K | [789.62; 993.35] |
|
| Cp,gas | 763.01 | J/mol×K | 789.62 | Joback Calculated Property |
| Cp,gas | 779.16 | J/mol×K | 823.58 | Joback Calculated Property |
| Cp,gas | 794.20 | J/mol×K | 857.53 | Joback Calculated Property |
| Cp,gas | 808.13 | J/mol×K | 891.49 | Joback Calculated Property |
| Cp,gas | 820.99 | J/mol×K | 925.44 | Joback Calculated Property |
| Cp,gas | 832.79 | J/mol×K | 959.40 | Joback Calculated Property |
| Cp,gas | 843.56 | J/mol×K | 993.35 | Joback Calculated Property |
| η | [0.0000604; 0.0011751] | Pa×s | [433.36; 789.62] |
|
| η | 0.0011751 | Pa×s | 433.36 | Joback Calculated Property |
| η | 0.0005318 | Pa×s | 492.74 | Joback Calculated Property |
| η | 0.0002855 | Pa×s | 552.11 | Joback Calculated Property |
| η | 0.0001729 | Pa×s | 611.49 | Joback Calculated Property |
| η | 0.0001144 | Pa×s | 670.87 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 730.24 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 789.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl phenethyl ester.
Sources
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