- InChI
- InChI=1S/C24H38O4/c1-4-7-8-9-10-11-15-19-27-22(25)24(5-2,6-3)23(26)28-20-18-21-16-13-12-14-17-21/h12-14,16-17H,4-11,15,18-20H2,1-3H3
- InChI Key
- DAFVTGAVZWJJLZ-UHFFFAOYSA-N
- Formula
- C24H38O4
- SMILES
-
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)O
CCc1ccccc1 - Molecular Weight1
- 390.56
- 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 | 0.9962 | Relay (1.0) Calculated Property | |
| ΔfG° | -354.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -875.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.873 | Crippen Calculated Property | |
| McVol | 340.140 | ml/mol | McGowan Calculated Property |
| Pc | 1000.18 | kPa | Joback Calculated Property |
| Inp | [2537.00; 2537.00] |
|
|
| Inp | 2537.00 | NIST | |
| Inp | 2537.00 | NIST | |
| Tboil | 654.92 | K | Relay (1.0) Calculated Property |
| Tc | 864.40 | K | Relay (1.0) Calculated Property |
| Tfus | 286.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.243 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.57; 1156.67] | 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 | -2.64880e+01 | |||
| Coefficient B | 2.22116e+00 | |||
| Coefficient C | -1.29560e-03 | |||
| Coefficient D | 2.57600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 488.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 608.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 715.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 809.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 891.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 963.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1024.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1076.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1120.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1156.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006405; 0.0000349] | Pa×s | [473.74; 764.39] |
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 | -1.50024e+01 | |||
| Coefficient B | 3.62368e+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. | 473.74 | |||
| Temperature range, max. | 764.39 | |||
| η | 0.0006405 | Pa×s | 473.74 | Calculated Property |
| η | 0.0003931 | Pa×s | 506.03 | Calculated Property |
| η | 0.0002558 | Pa×s | 538.33 | Calculated Property |
| η | 0.0001748 | Pa×s | 570.62 | Calculated Property |
| η | 0.0001244 | Pa×s | 602.92 | Calculated Property |
| η | 0.0000916 | Pa×s | 635.21 | Calculated Property |
| η | 0.0000695 | Pa×s | 667.50 | Calculated Property |
| η | 0.0000541 | Pa×s | 699.80 | Calculated Property |
| η | 0.0000431 | Pa×s | 732.09 | Calculated Property |
| η | 0.0000349 | Pa×s | 764.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, nonyl phenethyl ester.
Sources
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