- InChI
- InChI=1S/C26H42O4/c1-4-7-8-9-10-11-12-16-21-29-24(27)26(5-2,6-3)25(28)30-22-17-20-23-18-14-13-15-19-23/h13-15,18-19H,4-12,16-17,20-22H2,1-3H3
- InChI Key
- PWXDBQJXRJJADL-UHFFFAOYSA-N
- Formula
- C26H42O4
- SMILES
-
CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)
OCCCc1ccccc1 - Molecular Weight1
- 418.61
- 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 | 1.0687 | Relay (1.0) Calculated Property | |
| ΔfG° | -337.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -919.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.653 | Crippen Calculated Property | |
| McVol | 368.320 | ml/mol | McGowan Calculated Property |
| Pc | 888.94 | kPa | Joback Calculated Property |
| Inp | [2784.00; 2784.00] |
|
|
| Inp | 2784.00 | NIST | |
| Inp | 2784.00 | NIST | |
| Tboil | 672.75 | K | Relay (1.0) Calculated Property |
| Tc | 877.78 | K | Relay (1.0) Calculated Property |
| Tfus | 290.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.353 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [531.00; 1259.85] | 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 | -2.83060e+01 | |||
| Coefficient B | 2.41116e+00 | |||
| Coefficient C | -1.40440e-03 | |||
| Coefficient D | 2.81400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 531.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 661.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 777.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 879.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 969.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1047.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1114.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1171.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1219.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1259.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004761; 0.0000256] | Pa×s | [496.28; 801.05] |
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 | -1.53310e+01 | |||
| Coefficient B | 3.81200e+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. | 496.28 | |||
| Temperature range, max. | 801.05 | |||
| η | 0.0004761 | Pa×s | 496.28 | Calculated Property |
| η | 0.0002915 | Pa×s | 530.14 | Calculated Property |
| η | 0.0001893 | Pa×s | 564.01 | Calculated Property |
| η | 0.0001291 | Pa×s | 597.87 | Calculated Property |
| η | 0.0000917 | Pa×s | 631.73 | Calculated Property |
| η | 0.0000675 | Pa×s | 665.60 | Calculated Property |
| η | 0.0000511 | Pa×s | 699.46 | Calculated Property |
| η | 0.0000398 | Pa×s | 733.32 | Calculated Property |
| η | 0.0000316 | Pa×s | 767.19 | Calculated Property |
| η | 0.0000256 | Pa×s | 801.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, decyl 3-phenylpropyl ester.
Sources
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