- InChI
- InChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-13-16-19-23-30-26(28)20-17-14-11-12-15-18-21-27(29)31-24-22-25(2)3/h25H,4-24H2,1-3H3
- InChI Key
- BWJJFNJWTQRNRG-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O
)OCCC(C)C - Molecular Weight1
- 440.70
- 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 | 1.2577 | Relay (1.0) Calculated Property | |
| ΔfG° | -446.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1217.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.161 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 695.45 | kPa | Joback Calculated Property |
| Inp | [3044.00; 3044.00] |
|
|
| Inp | 3044.00 | NIST | |
| Inp | 3044.00 | NIST | |
| Tboil | 658.60 | K | Relay (1.0) Calculated Property |
| Tc | 831.16 | K | Relay (1.0) Calculated Property |
| Tfus | 289.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.575 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [610.61; 1429.04] | 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 | 2.74810e+01 | |||
| Coefficient B | 2.46516e+00 | |||
| Coefficient C | -1.25900e-03 | |||
| Coefficient D | 1.95400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 610.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 750.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 877.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 990.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1091.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1179.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1257.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1324.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1381.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1429.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006891; 0.0000241] | Pa×s | [463.71; 804.62] |
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 | -1.51946e+01 | |||
| Coefficient B | 3.67002e+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. | 463.71 | |||
| Temperature range, max. | 804.62 | |||
| η | 0.0006891 | Pa×s | 463.71 | Calculated Property |
| η | 0.0003791 | Pa×s | 501.59 | Calculated Property |
| η | 0.0002268 | Pa×s | 539.47 | Calculated Property |
| η | 0.0001451 | Pa×s | 577.35 | Calculated Property |
| η | 0.0000981 | Pa×s | 615.22 | Calculated Property |
| η | 0.0000694 | Pa×s | 653.10 | Calculated Property |
| η | 0.0000510 | Pa×s | 690.98 | Calculated Property |
| η | 0.0000387 | Pa×s | 728.86 | Calculated Property |
| η | 0.0000302 | Pa×s | 766.74 | Calculated Property |
| η | 0.0000241 | Pa×s | 804.62 | Calculated Property |
Similar Compounds
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