- InChI
- InChI=1S/C16H28O4/c1-3-5-7-9-14-20-16(18)12-10-11-15(17)19-13-8-6-4-2/h4H,2-3,5-14H2,1H3
- InChI Key
- KXQLUIQKAJTHGA-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
- C=CCCCOC(=O)CCCC(=O)OCCCCCC
- Molecular Weight1
- 284.39
- 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 | 0.8593 | Relay (1.0) Calculated Property | |
| ΔfG° | -449.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -890.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.790 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Pc | 1369.71 | kPa | Joback Calculated Property |
| Inp | 2000.00 | NIST | |
| Tboil | 604.34 | K | Relay (1.0) Calculated Property |
| Tc | 756.98 | K | Relay (1.0) Calculated Property |
| Tfus | 250.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.929 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.77; 832.49] | 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 | 3.61710e+01 | |||
| Coefficient B | 1.39422e+00 | |||
| Coefficient C | -6.80300e-04 | |||
| Coefficient D | 8.24000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 367.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 447.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 520.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 585.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 642.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 693.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 737.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 775.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 806.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 832.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024751; 0.0001329] | Pa×s | [352.98; 596.05] |
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 | -1.31726e+01 | |||
| Coefficient B | 2.53128e+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. | 352.98 | |||
| Temperature range, max. | 596.05 | |||
| η | 0.0024751 | Pa×s | 352.98 | Calculated Property |
| η | 0.0014868 | Pa×s | 379.99 | Calculated Property |
| η | 0.0009556 | Pa×s | 407.00 | Calculated Property |
| η | 0.0006489 | Pa×s | 434.00 | Calculated Property |
| η | 0.0004611 | Pa×s | 461.01 | Calculated Property |
| η | 0.0003403 | Pa×s | 488.02 | Calculated Property |
| η | 0.0002592 | Pa×s | 515.03 | Calculated Property |
| η | 0.0002029 | Pa×s | 542.04 | Calculated Property |
| η | 0.0001626 | Pa×s | 569.04 | Calculated Property |
| η | 0.0001329 | Pa×s | 596.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexyl pent-4-enyl ester.
Sources
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