- InChI
- InChI=1S/C21H42O7/c1-3-4-5-6-7-8-9-10-23-11-12-24-13-14-25-15-16-26-17-18-27-19-20-28-21(2)22/h3-20H2,1-2H3
- InChI Key
- SJLONUQAWDWHBE-UHFFFAOYSA-N
- Formula
- C21H42O7
- SMILES
-
CCCCCCCCCOCCOCCOCCOCCOCCOC(C)=
O - Molecular Weight1
- 406.56
- Other Names
-
- 2-(2-(2-(2-(2-nonyloxy-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethanol, acetate
- 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 | 1.1796 | Relay (1.0) Calculated Property | |
| ΔfG° | -709.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1405.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.383 | Crippen Calculated Property | |
| McVol | 343.540 | ml/mol | McGowan Calculated Property |
| Pc | 910.53 | kPa | Joback Calculated Property |
| Inp | [2759.30; 2759.30] |
|
|
| Inp | 2759.30 | NIST | |
| Inp | 2759.30 | NIST | |
| Tboil | 663.77 | K | Relay (1.0) Calculated Property |
| Tc | 821.20 | K | Relay (1.0) Calculated Property |
| Tfus | 244.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.327 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.33; 1203.35] | 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 | 1.36708e+02 | |||
| Coefficient B | 1.62804e+00 | |||
| Coefficient C | -4.69000e-04 | |||
| Coefficient D | -9.24000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 544.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 649.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 748.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 838.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 920.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 995.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1060.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1117.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1165.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1203.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002589; 0.0000249] | Pa×s | [479.91; 729.08] |
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 | -1.51103e+01 | |||
| Coefficient B | 3.28797e+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. | 479.91 | |||
| Temperature range, max. | 729.08 | |||
| η | 0.0002589 | Pa×s | 479.91 | Calculated Property |
| η | 0.0001782 | Pa×s | 507.60 | Calculated Property |
| η | 0.0001275 | Pa×s | 535.28 | Calculated Property |
| η | 0.0000942 | Pa×s | 562.97 | Calculated Property |
| η | 0.0000717 | Pa×s | 590.65 | Calculated Property |
| η | 0.0000559 | Pa×s | 618.34 | Calculated Property |
| η | 0.0000445 | Pa×s | 646.02 | Calculated Property |
| η | 0.0000361 | Pa×s | 673.71 | Calculated Property |
| η | 0.0000298 | Pa×s | 701.39 | Calculated Property |
| η | 0.0000249 | Pa×s | 729.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentaethylene glycol, nonyl ether, acetate.
Sources
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