- InChI
- InChI=1S/C23H36O4/c1-4-7-8-9-10-14-18-26-21(24)23(5-2,6-3)22(25)27-19-17-20-15-12-11-13-16-20/h11-13,15-16H,4-10,14,17-19H2,1-3H3
- InChI Key
- CYBUCJKNEOQWDB-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)OC
Cc1ccccc1 - Molecular Weight1
- 376.53
- 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 | 0.9586 | Relay (1.0) Calculated Property | |
| ΔfG° | -362.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -854.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.482 | Crippen Calculated Property | |
| McVol | 326.050 | ml/mol | McGowan Calculated Property |
| Pc | 1063.79 | kPa | Joback Calculated Property |
| Inp | [2440.00; 2440.00] |
|
|
| Inp | 2440.00 | NIST | |
| Inp | 2440.00 | NIST | |
| Tboil | 647.94 | K | Relay (1.0) Calculated Property |
| Tc | 857.33 | K | Relay (1.0) Calculated Property |
| Tfus | 285.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.189 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.36; 1105.08] | 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 | -2.55790e+01 | |||
| Coefficient B | 2.12616e+00 | |||
| Coefficient C | -1.24120e-03 | |||
| Coefficient D | 2.45700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 467.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 582.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 684.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 774.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 852.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 921.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 979.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1029.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1070.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1105.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007406; 0.0000405] | Pa×s | [462.47; 746.95] |
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 | -1.48400e+01 | |||
| Coefficient B | 3.52952e+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. | 462.47 | |||
| Temperature range, max. | 746.95 | |||
| η | 0.0007406 | Pa×s | 462.47 | Calculated Property |
| η | 0.0004545 | Pa×s | 494.08 | Calculated Property |
| η | 0.0002958 | Pa×s | 525.69 | Calculated Property |
| η | 0.0002021 | Pa×s | 557.30 | Calculated Property |
| η | 0.0001439 | Pa×s | 588.90 | Calculated Property |
| η | 0.0001060 | Pa×s | 620.51 | Calculated Property |
| η | 0.0000805 | Pa×s | 652.12 | Calculated Property |
| η | 0.0000627 | Pa×s | 683.73 | Calculated Property |
| η | 0.0000499 | Pa×s | 715.34 | Calculated Property |
| η | 0.0000405 | Pa×s | 746.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, octyl phenethyl ester.
Sources
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