- InChI
- InChI=1S/C12H24O5/c1-11(2)10-16-7-6-14-4-5-15-8-9-17-12(3)13/h11H,4-10H2,1-3H3
- InChI Key
- ABYFRGIVTBPFIJ-UHFFFAOYSA-N
- Formula
- C12H24O5
- SMILES
- CC(=O)OCCOCCOCCOCC(C)C
- Molecular Weight1
- 248.32
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.7672 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -995.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.255 | Crippen Calculated Property | |
| McVol | 204.990 | ml/mol | McGowan Calculated Property |
| Pc | 1724.59 | kPa | Joback Calculated Property |
| Inp | [1645.70; 1645.70] |
|
|
| Inp | 1645.70 | NIST | |
| Inp | 1645.70 | NIST | |
| Tboil | 555.97 | K | Relay (1.0) Calculated Property |
| Tc | 718.15 | K | Relay (1.0) Calculated Property |
| Tfus | 221.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.780 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.28; 702.57] | 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 | 9.22070e+01 | |||
| Coefficient B | 9.05360e-01 | |||
| Coefficient C | -2.04600e-04 | |||
| Coefficient D | -9.04000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 322.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 382.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 439.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 492.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 540.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 583.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 621.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 654.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 681.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 702.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020890; 0.0001207] | Pa×s | [319.02; 538.05] |
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 | -1.31743e+01 | |||
| Coefficient B | 2.23417e+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. | 319.02 | |||
| Temperature range, max. | 538.05 | |||
| η | 0.0020890 | Pa×s | 319.02 | Calculated Property |
| η | 0.0012717 | Pa×s | 343.36 | Calculated Property |
| η | 0.0008267 | Pa×s | 367.69 | Calculated Property |
| η | 0.0005669 | Pa×s | 392.03 | Calculated Property |
| η | 0.0004063 | Pa×s | 416.37 | Calculated Property |
| η | 0.0003021 | Pa×s | 440.70 | Calculated Property |
| η | 0.0002317 | Pa×s | 465.04 | Calculated Property |
| η | 0.0001825 | Pa×s | 489.38 | Calculated Property |
| η | 0.0001470 | Pa×s | 513.71 | Calculated Property |
| η | 0.0001207 | Pa×s | 538.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-(2-(2-Isobutoxy-ethoxy)-ethoxy)-ethyl acetate.
Sources
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