- InChI
- InChI=1S/C16H30O4/c1-5-6-7-8-12-19-14(17)10-9-11-15(18)20-13-16(2,3)4/h5-13H2,1-4H3
- InChI Key
- BFYUMWDJIJPPKZ-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
- CCCCCCOC(=O)CCCC(=O)OCC(C)(C)C
- Molecular Weight1
- 286.41
- 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° | -381.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -871.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.23 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 3.870 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1431.55 | kPa | Joback Calculated Property |
| Inp | [1880.00; 1880.00] |
|
|
| Inp | 1880.00 | NIST | |
| Inp | 1880.00 | NIST | |
| Tboil | 714.83 | K | Joback Calculated Property |
| Tc | 896.57 | K | Joback Calculated Property |
| Tfus | 416.82 | K | Joback Calculated Property |
| Vc | 0.969 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.69; 823.95] | J/mol×K | [714.83; 896.57] |
|
| Cp,gas | 735.69 | J/mol×K | 714.83 | Joback Calculated Property |
| Cp,gas | 752.55 | J/mol×K | 745.12 | Joback Calculated Property |
| Cp,gas | 768.52 | J/mol×K | 775.41 | Joback Calculated Property |
| Cp,gas | 783.62 | J/mol×K | 805.70 | Joback Calculated Property |
| Cp,gas | 797.88 | J/mol×K | 835.99 | Joback Calculated Property |
| Cp,gas | 811.32 | J/mol×K | 866.28 | Joback Calculated Property |
| Cp,gas | 823.95 | J/mol×K | 896.57 | Joback Calculated Property |
| η | [0.0000773; 0.0012644] | Pa×s | [416.82; 714.83] |
|
| η | 0.0012644 | Pa×s | 416.82 | Joback Calculated Property |
| η | 0.0006193 | Pa×s | 466.49 | Joback Calculated Property |
| η | 0.0003480 | Pa×s | 516.16 | Joback Calculated Property |
| η | 0.0002164 | Pa×s | 565.82 | Joback Calculated Property |
| η | 0.0001453 | Pa×s | 615.49 | Joback Calculated Property |
| η | 0.0001035 | Pa×s | 665.16 | Joback Calculated Property |
| η | 0.0000773 | Pa×s | 714.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexyl neopentyl ester.
Sources
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