- InChI
- InChI=1S/C19H36O4/c1-3-5-6-11-14-17-23-19(21)16-13-10-8-7-9-12-15-18(20)22-4-2/h3-17H2,1-2H3
- InChI Key
- TWPWHEXMQNHQRK-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
- CCCCCCCOC(=O)CCCCCCCCC(=O)OCC
- Molecular Weight1
- 328.49
- 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 | 1.0020 | Relay (1.0) Calculated Property | |
| ΔfG° | -511.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1053.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.184 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Pc | 1087.78 | kPa | Joback Calculated Property |
| Inp | 2292.00 | NIST | |
| Tboil | 602.37 | K | Relay (1.0) Calculated Property |
| Tc | 776.28 | K | Relay (1.0) Calculated Property |
| Tfus | 279.05 | K | Relay (1.0) Calculated Property |
| Vc | 1.149 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.22; 1015.78] | 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 | 3.64350e+01 | |||
| Coefficient B | 1.69924e+00 | |||
| Coefficient C | -8.20600e-04 | |||
| Coefficient D | 1.00700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 441.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 539.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 628.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 707.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 779.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 841.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 896.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 943.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 983.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1015.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017414; 0.0000898] | Pa×s | [388.55; 647.81] |
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 | -1.37625e+01 | |||
| Coefficient B | 2.87892e+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. | 388.55 | |||
| Temperature range, max. | 647.81 | |||
| η | 0.0017414 | Pa×s | 388.55 | Calculated Property |
| η | 0.0010442 | Pa×s | 417.36 | Calculated Property |
| η | 0.0006689 | Pa×s | 446.16 | Calculated Property |
| η | 0.0004523 | Pa×s | 474.97 | Calculated Property |
| η | 0.0003198 | Pa×s | 503.78 | Calculated Property |
| η | 0.0002348 | Pa×s | 532.58 | Calculated Property |
| η | 0.0001779 | Pa×s | 561.39 | Calculated Property |
| η | 0.0001385 | Pa×s | 590.20 | Calculated Property |
| η | 0.0001104 | Pa×s | 619.01 | Calculated Property |
| η | 0.0000898 | Pa×s | 647.81 | Calculated Property |
Similar Compounds
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Sources
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