- InChI
- InChI=1S/C20H36O4/c1-3-5-7-8-9-10-14-18-24-20(22)16-12-11-15-19(21)23-17-13-6-4-2/h4H,2-3,5-18H2,1H3
- InChI Key
- MDTQIJFSLZGLIJ-UHFFFAOYSA-N
- Formula
- C20H36O4
- SMILES
-
C=CCCCOC(=O)CCCCC(=O)OCCCCCCCC
C - Molecular Weight1
- 340.50
- 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 | 1.0044 | Relay (1.0) Calculated Property | |
| ΔfG° | -415.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -971.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.350 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Pc | 1050.05 | kPa | Joback Calculated Property |
| Inp | [2335.00; 2335.00] |
|
|
| Inp | 2335.00 | NIST | |
| Inp | 2335.00 | NIST | |
| Tboil | 637.06 | K | Relay (1.0) Calculated Property |
| Tc | 790.92 | K | Relay (1.0) Calculated Property |
| Tfus | 269.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.150 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.62; 1038.86] | 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 | 3.25350e+01 | |||
| Coefficient B | 1.77422e+00 | |||
| Coefficient C | -8.97900e-04 | |||
| Coefficient D | 1.30000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 452.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 553.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 644.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 726.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 798.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 862.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 917.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 965.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1005.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1038.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015287; 0.0000822] | Pa×s | [398.06; 663.54] |
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 | -1.37886e+01 | |||
| Coefficient B | 2.90792e+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. | 398.06 | |||
| Temperature range, max. | 663.54 | |||
| η | 0.0015287 | Pa×s | 398.06 | Calculated Property |
| η | 0.0009235 | Pa×s | 427.56 | Calculated Property |
| η | 0.0005954 | Pa×s | 457.06 | Calculated Property |
| η | 0.0004048 | Pa×s | 486.55 | Calculated Property |
| η | 0.0002877 | Pa×s | 516.05 | Calculated Property |
| η | 0.0002121 | Pa×s | 545.55 | Calculated Property |
| η | 0.0001614 | Pa×s | 575.05 | Calculated Property |
| η | 0.0001261 | Pa×s | 604.55 | Calculated Property |
| η | 0.0001008 | Pa×s | 634.04 | Calculated Property |
| η | 0.0000822 | Pa×s | 663.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, nonyl pent-4-enyl ester.
Sources
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