- InChI
- InChI=1S/C24H46O4/c1-5-7-13-17-21(3)27-23(25)19-15-11-9-10-12-16-20-24(26)28-22(4)18-14-8-6-2/h21-22H,5-20H2,1-4H3
- InChI Key
- ZACMHOIXXJSCRZ-UHFFFAOYSA-N
- Formula
- C24H46O4
- SMILES
-
CCCCCC(C)OC(=O)CCCCCCCCC(=O)OC
(C)CCCCC - Molecular Weight1
- 398.63
- 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 | 1.1082 | Relay (1.0) Calculated Property | |
| ΔfG° | -474.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1194.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.131 | Crippen Calculated Property | |
| McVol | 363.900 | ml/mol | McGowan Calculated Property |
| Pc | 818.20 | kPa | Joback Calculated Property |
| Inp | [2603.00; 2603.00] |
|
|
| Inp | 2603.00 | NIST | |
| Inp | 2603.00 | NIST | |
| Tboil | 616.63 | K | Relay (1.0) Calculated Property |
| Tc | 800.49 | K | Relay (1.0) Calculated Property |
| Tfus | 274.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.404 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.66; 1274.81] | 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 | 2.85260e+01 | |||
| Coefficient B | 2.18608e+00 | |||
| Coefficient C | -1.09900e-03 | |||
| Coefficient D | 1.59200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 546.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 671.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 784.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 885.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 974.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1054.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1123.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1182.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1233.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1274.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013933; 0.0000369] | Pa×s | [414.90; 740.71] |
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 | -1.48320e+01 | |||
| Coefficient B | 3.42536e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 414.90 | |||
| Temperature range, max. | 740.71 | |||
| η | 0.0013933 | Pa×s | 414.90 | Calculated Property |
| η | 0.0007183 | Pa×s | 451.10 | Calculated Property |
| η | 0.0004086 | Pa×s | 487.30 | Calculated Property |
| η | 0.0002513 | Pa×s | 523.50 | Calculated Property |
| η | 0.0001646 | Pa×s | 559.70 | Calculated Property |
| η | 0.0001135 | Pa×s | 595.91 | Calculated Property |
| η | 0.0000817 | Pa×s | 632.11 | Calculated Property |
| η | 0.0000609 | Pa×s | 668.31 | Calculated Property |
| η | 0.0000468 | Pa×s | 704.51 | Calculated Property |
| η | 0.0000369 | Pa×s | 740.71 | Calculated Property |
Similar Compounds
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Sources
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