- InChI
- InChI=1S/C22H34O4/c1-2-3-4-5-6-7-11-18-25-21(23)15-12-16-22(24)26-19-17-20-13-9-8-10-14-20/h8-10,13-14H,2-7,11-12,15-19H2,1H3
- InChI Key
- XHDUUWXSEAZCHG-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCCCCCCOC(=O)CCCC(=O)OCCc1cc
ccc1 - 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 | 1.0393 | Relay (1.0) Calculated Property | |
| ΔfG° | -373.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -856.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.236 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1119.30 | kPa | Joback Calculated Property |
| Inp | 2739.00 | NIST | |
| Tboil | 660.59 | K | Relay (1.0) Calculated Property |
| Tc | 847.34 | K | Relay (1.0) Calculated Property |
| Tfus | 280.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.180 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.60; 1052.02] | 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 | -1.97000e-01 | |||
| Coefficient B | 1.90532e+00 | |||
| Coefficient C | -1.01500e-03 | |||
| Coefficient D | 1.61900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 447.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 554.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 649.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 734.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 809.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 874.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 931.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 979.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1019.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1052.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008884; 0.0000574] | Pa×s | [448.78; 729.62] |
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 | -1.41449e+01 | |||
| Coefficient B | 3.19482e+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. | 448.78 | |||
| Temperature range, max. | 729.62 | |||
| η | 0.0008884 | Pa×s | 448.78 | Calculated Property |
| η | 0.0005593 | Pa×s | 479.98 | Calculated Property |
| η | 0.0003725 | Pa×s | 511.19 | Calculated Property |
| η | 0.0002600 | Pa×s | 542.39 | Calculated Property |
| η | 0.0001887 | Pa×s | 573.60 | Calculated Property |
| η | 0.0001416 | Pa×s | 604.80 | Calculated Property |
| η | 0.0001093 | Pa×s | 636.00 | Calculated Property |
| η | 0.0000864 | Pa×s | 667.21 | Calculated Property |
| η | 0.0000698 | Pa×s | 698.41 | Calculated Property |
| η | 0.0000574 | Pa×s | 729.62 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, nonyl phenethyl ester.
Sources
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