- InChI
- InChI=1S/C16H28O4/c1-13(2)11-19-15(17)9-6-10-16(18)20-12-14-7-4-3-5-8-14/h13-14H,3-12H2,1-2H3
- InChI Key
- HXLONIWEZSABJT-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
- CC(C)COC(=O)CCCC(=O)OCC1CCCCC1
- Molecular Weight1
- 284.40
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -971.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.479 | Crippen Calculated Property | |
| McVol | 240.320 | ml/mol | McGowan Calculated Property |
| Pc | 1561.05 | kPa | Joback Calculated Property |
| Inp | [1986.00; 1986.00] |
|
|
| Inp | 1986.00 | NIST | |
| Inp | 1986.00 | NIST | |
| Tboil | 617.09 | K | Relay (1.0) Calculated Property |
| Tc | 788.46 | K | Relay (1.0) Calculated Property |
| Tfus | 265.43 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.14; 846.62] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.81250e+01 | |||
| Coefficient B | 1.54224e+00 | |||
| Coefficient C | -7.41600e-04 | |||
| Coefficient D | 7.41000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 339.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 427.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 508.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 579.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 643.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 699.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 746.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 787.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 820.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 846.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039989; 0.0001150] | Pa×s | [347.12; 627.23] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.34686e+01 | |||
| Coefficient B | 2.75853e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 347.12 | |||
| Temperature range, max. | 627.23 | |||
| η | 0.0039989 | Pa×s | 347.12 | Calculated Property |
| η | 0.0020795 | Pa×s | 378.24 | Calculated Property |
| η | 0.0011944 | Pa×s | 409.37 | Calculated Property |
| η | 0.0007419 | Pa×s | 440.49 | Calculated Property |
| η | 0.0004908 | Pa×s | 471.61 | Calculated Property |
| η | 0.0003417 | Pa×s | 502.74 | Calculated Property |
| η | 0.0002481 | Pa×s | 533.86 | Calculated Property |
| η | 0.0001867 | Pa×s | 564.99 | Calculated Property |
| η | 0.0001447 | Pa×s | 596.11 | Calculated Property |
| η | 0.0001150 | Pa×s | 627.23 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl isobutyl ester.
Sources
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