- InChI
- InChI=1S/C16H30O4/c1-12(2)9-10-14(5)20-16(18)8-6-7-15(17)19-11-13(3)4/h12-14H,6-11H2,1-5H3
- InChI Key
- ODCLUIWYXHVVFJ-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CC(C)CCC(C)OC(=O)CCCC(=O)OCC(C
)C - Molecular Weight1
- 286.41
- 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 | 0.8041 | Relay (1.0) Calculated Property | |
| ΔfG° | -391.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1045.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.724 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1436.98 | kPa | Joback Calculated Property |
| Inp | 2001.00 | NIST | |
| Tboil | 563.43 | K | Relay (1.0) Calculated Property |
| Tc | 726.23 | K | Relay (1.0) Calculated Property |
| Tfus | 246.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.952 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.04; 824.95] | J/mol×K | [716.74; 899.00] | 
|
| Cp,gas | 735.04 | J/mol×K | 716.74 | Joback Calculated Property |
| Cp,gas | 752.23 | J/mol×K | 747.12 | Joback Calculated Property |
| Cp,gas | 768.53 | J/mol×K | 777.49 | Joback Calculated Property |
| Cp,gas | 783.94 | J/mol×K | 807.87 | Joback Calculated Property |
| Cp,gas | 798.48 | J/mol×K | 838.25 | Joback Calculated Property |
| Cp,gas | 812.14 | J/mol×K | 868.62 | Joback Calculated Property |
| Cp,gas | 824.95 | J/mol×K | 899.00 | Joback Calculated Property |
| η | [0.0000731; 0.0024183] | Pa×s | [369.40; 716.74] |
|
| η | 0.0024183 | Pa×s | 369.40 | Joback Calculated Property |
| η | 0.0009093 | Pa×s | 427.29 | Joback Calculated Property |
| η | 0.0004318 | Pa×s | 485.18 | Joback Calculated Property |
| η | 0.0002403 | Pa×s | 543.07 | Joback Calculated Property |
| η | 0.0001497 | Pa×s | 600.96 | Joback Calculated Property |
| η | 0.0001014 | Pa×s | 658.85 | Joback Calculated Property |
| η | 0.0000731 | Pa×s | 716.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 5-methylhex-2-yl ester.
Sources
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