- InChI
- InChI=1S/C18H34O4/c1-3-5-10-13-16(4-2)22-18(21)15-12-9-7-6-8-11-14-17(19)20/h16H,3-15H2,1-2H3,(H,19,20)
- InChI Key
- JGQWKLHHTRIVSL-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
- CCCCCC(CC)OC(=O)CCCCCCCCC(=O)O
- Molecular Weight1
- 314.46
- 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).
- 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° | -556.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1078.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.094 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1236.35 | kPa | Joback Calculated Property |
| Tboil | 614.09 | K | Relay (1.0) Calculated Property |
| Tc | 807.10 | K | Relay (1.0) Calculated Property |
| Tfus | 316.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.053 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.97; 967.39] | 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 | 1.48530e+01 | |||
| Coefficient B | 1.71574e+00 | |||
| Coefficient C | -9.36600e-04 | |||
| Coefficient D | 1.73400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 416.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 512.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 597.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 674.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 741.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 800.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 852.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 897.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 935.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 967.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007691; 0.0000941] | Pa×s | [480.55; 701.85] |
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 | -1.38331e+01 | |||
| Coefficient B | 3.20180e+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. | 480.55 | |||
| Temperature range, max. | 701.85 | |||
| η | 0.0007691 | Pa×s | 480.55 | Calculated Property |
| η | 0.0005560 | Pa×s | 505.14 | Calculated Property |
| η | 0.0004143 | Pa×s | 529.73 | Calculated Property |
| η | 0.0003169 | Pa×s | 554.32 | Calculated Property |
| η | 0.0002479 | Pa×s | 578.91 | Calculated Property |
| η | 0.0001979 | Pa×s | 603.50 | Calculated Property |
| η | 0.0001608 | Pa×s | 628.08 | Calculated Property |
| η | 0.0001327 | Pa×s | 652.67 | Calculated Property |
| η | 0.0001110 | Pa×s | 677.26 | Calculated Property |
| η | 0.0000941 | Pa×s | 701.85 | Calculated Property |
Similar Compounds
Find more compounds similar to Mono-2-ethyl hexyl sebacate.
Sources
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