- InChI
- InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)
- InChI Key
- JJOJFIHJIRWASH-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
- O=C(O)CCCCCCCCCCCCCCCCCCC(=O)O
- Molecular Weight1
- 342.51
- CAS
- 2424-92-2
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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 | 1.3571 | Relay (1.0) Calculated Property | |
| ΔfG° | -570.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1120.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.84 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [166.00; 170.00] | kJ/mol |
|
| ΔsubH° | 166.00 ± 3.00 | kJ/mol | NIST |
| ΔsubH° | 170.00 ± 3.30 | kJ/mol | NIST |
| ΔvapH° | 165.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.177 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Pc | 1141.34 | kPa | Joback Calculated Property |
| Tboil | 625.50 | K | Relay (1.0) Calculated Property |
| Tc | 858.98 | K | Relay (1.0) Calculated Property |
| Tfus | 403.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.202 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | [165.70; 199.50] | kJ/mol | [341.00; 387.50] |
|
| ΔsubH | 199.50 | kJ/mol | 341.00 | NIST |
| ΔsubH | 165.70 ± 3.30 | kJ/mol | 387.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 506.70 | K | 0.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.00; 1072.71] | 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 | -6.09200e+00 | |||
| Coefficient B | 2.00540e+00 | |||
| Coefficient C | -1.20940e-03 | |||
| Coefficient D | 2.82800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 457.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 564.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 660.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 744.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 819.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 884.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 942.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 991.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1035.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1072.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002639; 0.0000739] | Pa×s | [636.36; 812.87] |
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 | -1.41037e+01 | |||
| Coefficient B | 3.73152e+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. | 636.36 | |||
| Temperature range, max. | 812.87 | |||
| η | 0.0002639 | Pa×s | 636.36 | Calculated Property |
| η | 0.0002215 | Pa×s | 655.97 | Calculated Property |
| η | 0.0001878 | Pa×s | 675.59 | Calculated Property |
| η | 0.0001607 | Pa×s | 695.20 | Calculated Property |
| η | 0.0001387 | Pa×s | 714.81 | Calculated Property |
| η | 0.0001206 | Pa×s | 734.42 | Calculated Property |
| η | 0.0001057 | Pa×s | 754.04 | Calculated Property |
| η | 0.0000932 | Pa×s | 773.65 | Calculated Property |
| η | 0.0000828 | Pa×s | 793.26 | Calculated Property |
| η | 0.0000739 | Pa×s | 812.87 | Calculated Property |
Similar Compounds
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