- InChI
- InChI=1S/C16H28O5/c1-4-20-15(18)11-9-7-5-6-8-10-12-16(19)21-14(3)13(2)17/h14H,4-12H2,1-3H3
- InChI Key
- MOZSPBJGHKTCQW-UHFFFAOYSA-N
- Formula
- C16H28O5
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)OC(C)C(C)
=O - Molecular Weight1
- 300.39
- 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 | 0.8791 | Relay (1.0) Calculated Property | |
| ΔfG° | -668.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1131.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.191 | Crippen Calculated Property | |
| McVol | 252.750 | ml/mol | McGowan Calculated Property |
| Pc | 1399.59 | kPa | Joback Calculated Property |
| Inp | [2068.00; 2068.00] |
|
|
| Inp | 2068.00 | NIST | |
| Inp | 2068.00 | NIST | |
| Tboil | 576.59 | K | Relay (1.0) Calculated Property |
| Tc | 765.96 | K | Relay (1.0) Calculated Property |
| Tfus | 310.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.961 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.19; 850.56] | 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 | 4.48390e+01 | |||
| Coefficient B | 1.39216e+00 | |||
| Coefficient C | -6.41900e-04 | |||
| Coefficient D | 5.54600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 378.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 459.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 533.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 599.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 658.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 710.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 755.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 793.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 825.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 850.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021380; 0.0001174] | Pa×s | [389.67; 641.58] |
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 | -1.35399e+01 | |||
| Coefficient B | 2.88045e+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. | 389.67 | |||
| Temperature range, max. | 641.58 | |||
| η | 0.0021380 | Pa×s | 389.67 | Calculated Property |
| η | 0.0013028 | Pa×s | 417.66 | Calculated Property |
| η | 0.0008448 | Pa×s | 445.65 | Calculated Property |
| η | 0.0005766 | Pa×s | 473.64 | Calculated Property |
| η | 0.0004107 | Pa×s | 501.63 | Calculated Property |
| η | 0.0003032 | Pa×s | 529.62 | Calculated Property |
| η | 0.0002307 | Pa×s | 557.61 | Calculated Property |
| η | 0.0001803 | Pa×s | 585.60 | Calculated Property |
| η | 0.0001440 | Pa×s | 613.59 | Calculated Property |
| η | 0.0001174 | Pa×s | 641.58 | Calculated Property |
Similar Compounds
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Sources
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