- InChI
- InChI=1S/C18H32O4/c1-3-5-12-16-22-18(20)14-11-9-7-6-8-10-13-17(19)21-15-4-2/h3H,1,4-16H2,2H3
- InChI Key
- AHJTVYSMOMWCGM-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
- C=CCCCOC(=O)CCCCCCCCC(=O)OCCC
- Molecular Weight1
- 312.44
- 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 | 0.9335 | Relay (1.0) Calculated Property | |
| ΔfG° | -432.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -933.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.570 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Pc | 1194.00 | kPa | Joback Calculated Property |
| Inp | 2187.00 | NIST | |
| Tboil | 619.51 | K | Relay (1.0) Calculated Property |
| Tc | 771.66 | K | Relay (1.0) Calculated Property |
| Tfus | 265.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.042 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.20; 935.67] | 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 | 3.43530e+01 | |||
| Coefficient B | 1.58422e+00 | |||
| Coefficient C | -7.89100e-04 | |||
| Coefficient D | 1.06200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 410.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 500.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 582.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 655.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 720.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 778.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 827.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 870.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 906.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 935.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019609; 0.0001059] | Pa×s | [375.52; 629.00] |
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 | -1.34766e+01 | |||
| Coefficient B | 2.71960e+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. | 375.52 | |||
| Temperature range, max. | 629.00 | |||
| η | 0.0019609 | Pa×s | 375.52 | Calculated Property |
| η | 0.0011831 | Pa×s | 403.68 | Calculated Property |
| η | 0.0007624 | Pa×s | 431.85 | Calculated Property |
| η | 0.0005185 | Pa×s | 460.01 | Calculated Property |
| η | 0.0003687 | Pa×s | 488.18 | Calculated Property |
| η | 0.0002720 | Pa×s | 516.34 | Calculated Property |
| η | 0.0002072 | Pa×s | 544.51 | Calculated Property |
| η | 0.0001620 | Pa×s | 572.67 | Calculated Property |
| η | 0.0001297 | Pa×s | 600.84 | Calculated Property |
| η | 0.0001059 | Pa×s | 629.00 | Calculated Property |
Similar Compounds
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Sources
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