- InChI
- InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-24(26)18-15-19-25(27)29-22-20-23-16-12-11-13-17-23/h11-13,16-17H,2-10,14-15,18-22H2,1H3
- InChI Key
- VAUKQBKTAOFZJU-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCC(=O)OCCc
1ccccc1 - Molecular Weight1
- 404.58
- 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 | 1.1470 | Relay (1.0) Calculated Property | |
| ΔfG° | -348.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -921.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.407 | Crippen Calculated Property | |
| McVol | 354.230 | ml/mol | McGowan Calculated Property |
| Pc | 931.21 | kPa | Joback Calculated Property |
| Inp | [3063.00; 3063.00] |
|
|
| Inp | 3063.00 | NIST | |
| Inp | 3063.00 | NIST | |
| Tboil | 680.49 | K | Relay (1.0) Calculated Property |
| Tc | 868.72 | K | Relay (1.0) Calculated Property |
| Tfus | 290.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.345 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [511.24; 1206.80] | 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 | -2.92400e+00 | |||
| Coefficient B | 2.19032e+00 | |||
| Coefficient C | -1.17820e-03 | |||
| Coefficient D | 1.97600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 511.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 633.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 742.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 839.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 925.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1001.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1066.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1121.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1168.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1206.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005952; 0.0000373] | Pa×s | [482.59; 784.11] |
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 | -1.46321e+01 | |||
| Coefficient B | 3.47730e+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. | 482.59 | |||
| Temperature range, max. | 784.11 | |||
| η | 0.0005952 | Pa×s | 482.59 | Calculated Property |
| η | 0.0003728 | Pa×s | 516.09 | Calculated Property |
| η | 0.0002473 | Pa×s | 549.60 | Calculated Property |
| η | 0.0001719 | Pa×s | 583.10 | Calculated Property |
| η | 0.0001243 | Pa×s | 616.60 | Calculated Property |
| η | 0.0000930 | Pa×s | 650.10 | Calculated Property |
| η | 0.0000715 | Pa×s | 683.61 | Calculated Property |
| η | 0.0000564 | Pa×s | 717.11 | Calculated Property |
| η | 0.0000454 | Pa×s | 750.61 | Calculated Property |
| η | 0.0000373 | Pa×s | 784.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodecyl phenethyl ester.
Sources
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