- InChI
- InChI=1S/C21H32O5/c1-17(2)16-26-21(23)11-7-10-20(22)25-15-13-19(12-14-24-3)18-8-5-4-6-9-18/h4-6,8-9,17,19H,7,10-16H2,1-3H3
- InChI Key
- BIHRAWDWJULMGB-UHFFFAOYSA-N
- Formula
- C21H32O5
- SMILES
-
COCCC(CCOC(=O)CCCC(=O)OCC(C)C)
c1ccccc1 - Molecular Weight1
- 364.48
- 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° | -339.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 4.109 | Crippen Calculated Property | |
| McVol | 303.740 | ml/mol | McGowan Calculated Property |
| Pc | 1264.65 | kPa | Joback Calculated Property |
| Inp | [2563.00; 2563.00] |
|
|
| Inp | 2563.00 | NIST | |
| Inp | 2563.00 | NIST | |
| Tboil | 880.68 | K | Joback Calculated Property |
| Tc | 1085.58 | K | Joback Calculated Property |
| Tfus | 489.40 | K | Joback Calculated Property |
| Vc | 1.157 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [968.39; 1045.42] | J/mol×K | [880.68; 1085.58] |
|
| Cp,gas | 968.39 | J/mol×K | 880.68 | Joback Calculated Property |
| Cp,gas | 984.45 | J/mol×K | 914.83 | Joback Calculated Property |
| Cp,gas | 999.20 | J/mol×K | 948.98 | Joback Calculated Property |
| Cp,gas | 1012.65 | J/mol×K | 983.13 | Joback Calculated Property |
| Cp,gas | 1024.83 | J/mol×K | 1017.28 | Joback Calculated Property |
| Cp,gas | 1035.75 | J/mol×K | 1051.43 | Joback Calculated Property |
| Cp,gas | 1045.42 | J/mol×K | 1085.58 | Joback Calculated Property |
| η | [0.0000293; 0.0005629] | Pa×s | [489.40; 880.68] |
|
| η | 0.0005629 | Pa×s | 489.40 | Joback Calculated Property |
| η | 0.0002575 | Pa×s | 554.61 | Joback Calculated Property |
| η | 0.0001388 | Pa×s | 619.83 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 685.04 | Joback Calculated Property |
| η | 0.0000557 | Pa×s | 750.25 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 815.47 | Joback Calculated Property |
| η | 0.0000293 | Pa×s | 880.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 5-methoxy-3-phenylpentyl ester.
Sources
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