- InChI
- InChI=1S/C22H34O4/c1-4-7-8-9-13-17-25-20(23)22(5-2,6-3)21(24)26-18-16-19-14-11-10-12-15-19/h10-12,14-15H,4-9,13,16-18H2,1-3H3
- InChI Key
- VWWXGYNFZDABCL-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCC
c1ccccc1 - Molecular Weight1
- 362.50
- 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 | 0.9195 | Relay (1.0) Calculated Property | |
| ΔfG° | -371.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -833.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.092 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1133.67 | kPa | Joback Calculated Property |
| Inp | 2341.00 | NIST | |
| Tboil | 640.90 | K | Relay (1.0) Calculated Property |
| Tc | 849.84 | K | Relay (1.0) Calculated Property |
| Tfus | 283.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.134 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.14; 1053.49] | 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 | -2.46700e+01 | |||
| Coefficient B | 2.03116e+00 | |||
| Coefficient C | -1.18680e-03 | |||
| Coefficient D | 2.33800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 446.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 555.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 653.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 738.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 813.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 878.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 934.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 981.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1021.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1053.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008544; 0.0000466] | Pa×s | [451.20; 730.05] |
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 | -1.46789e+01 | |||
| Coefficient B | 3.43536e+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. | 451.20 | |||
| Temperature range, max. | 730.05 | |||
| η | 0.0008544 | Pa×s | 451.20 | Calculated Property |
| η | 0.0005238 | Pa×s | 482.18 | Calculated Property |
| η | 0.0003407 | Pa×s | 513.17 | Calculated Property |
| η | 0.0002327 | Pa×s | 544.15 | Calculated Property |
| η | 0.0001656 | Pa×s | 575.13 | Calculated Property |
| η | 0.0001220 | Pa×s | 606.12 | Calculated Property |
| η | 0.0000926 | Pa×s | 637.10 | Calculated Property |
| η | 0.0000721 | Pa×s | 668.08 | Calculated Property |
| η | 0.0000574 | Pa×s | 699.07 | Calculated Property |
| η | 0.0000466 | Pa×s | 730.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptyl phenethyl ester.
Sources
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