- InChI
- InChI=1S/C24H44O4/c1-3-5-7-8-9-12-15-18-22-28-24(26)20-17-14-11-10-13-16-19-23(25)27-21-6-4-2/h4H,2-3,5-22H2,1H3
- InChI Key
- KZUZOLWHZLCIKR-UHFFFAOYSA-N
- Formula
- C24H44O4
- SMILES
-
C=CCCOC(=O)CCCCCCCCC(=O)OCCCCC
CCCCC - Molecular Weight1
- 396.61
- 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 | 1.1418 | Relay (1.0) Calculated Property | |
| ΔfG° | -381.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1044.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.910 | Crippen Calculated Property | |
| McVol | 359.600 | ml/mol | McGowan Calculated Property |
| Pc | 830.50 | kPa | Joback Calculated Property |
| Inp | 2763.00 | NIST | |
| Tboil | 662.59 | K | Relay (1.0) Calculated Property |
| Tc | 821.21 | K | Relay (1.0) Calculated Property |
| Tfus | 282.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.370 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [537.48; 1245.22] | 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 | 2.88990e+01 | |||
| Coefficient B | 2.15422e+00 | |||
| Coefficient C | -1.11550e-03 | |||
| Coefficient D | 1.77600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 537.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 659.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 768.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 867.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 954.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1031.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1097.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1155.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1204.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1245.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008938; 0.0000461] | Pa×s | [443.14; 738.71] |
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 | -1.44320e+01 | |||
| Coefficient B | 3.28456e+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. | 443.14 | |||
| Temperature range, max. | 738.71 | |||
| η | 0.0008938 | Pa×s | 443.14 | Calculated Property |
| η | 0.0005360 | Pa×s | 475.98 | Calculated Property |
| η | 0.0003433 | Pa×s | 508.82 | Calculated Property |
| η | 0.0002321 | Pa×s | 541.66 | Calculated Property |
| η | 0.0001641 | Pa×s | 574.50 | Calculated Property |
| η | 0.0001205 | Pa×s | 607.34 | Calculated Property |
| η | 0.0000913 | Pa×s | 640.18 | Calculated Property |
| η | 0.0000711 | Pa×s | 673.02 | Calculated Property |
| η | 0.0000566 | Pa×s | 705.86 | Calculated Property |
| η | 0.0000461 | Pa×s | 738.71 | Calculated Property |
Similar Compounds
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Sources
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