![1-[(1-Propoxypropan-2-yl)oxy]propan-2-yl acetate](/cid/33-073-4/1-1-Propoxypropan-2-yl-oxy-propan-2-yl-acetate.png "1-[(1-Propoxypropan-2-yl)oxy]propan-2-yl acetate")
- InChI
- InChI=1S/C11H22O4/c1-5-6-13-7-9(2)14-8-10(3)15-11(4)12/h9-10H,5-8H2,1-4H3
- InChI Key
- PNBCGVPSRHMZDO-UHFFFAOYSA-N
- Formula
- C11H22O4
- SMILES
- CCCOCC(C)OCC(C)OC(C)=O
- Molecular Weight1
- 218.29
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 23.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.770 | Crippen Calculated Property | |
| McVol | 185.030 | ml/mol | McGowan Calculated Property |
| Pc | 1911.91 | kPa | Joback Calculated Property |
| Inp | [1312.00; 1312.00] |
|
|
| Inp | 1312.00 | NIST | |
| Inp | 1312.00 | NIST | |
| Tboil | 501.18 | K | Relay (1.0) Calculated Property |
| Tc | 665.56 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.35; 633.01] | 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 | 6.59340e+01 | |||
| Coefficient B | 8.79480e-01 | |||
| Coefficient C | -2.64400e-04 | |||
| Coefficient D | -4.80000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 285.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 341.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 394.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 442.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 486.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 525.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 559.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 589.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 613.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 633.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052321; 0.0001487] | Pa×s | [270.52; 509.02] |
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 | -1.28522e+01 | |||
| Coefficient B | 2.05574e+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. | 270.52 | |||
| Temperature range, max. | 509.02 | |||
| η | 0.0052321 | Pa×s | 270.52 | Calculated Property |
| η | 0.0026560 | Pa×s | 297.02 | Calculated Property |
| η | 0.0015066 | Pa×s | 323.52 | Calculated Property |
| η | 0.0009313 | Pa×s | 350.02 | Calculated Property |
| η | 0.0006160 | Pa×s | 376.52 | Calculated Property |
| η | 0.0004302 | Pa×s | 403.02 | Calculated Property |
| η | 0.0003140 | Pa×s | 429.52 | Calculated Property |
| η | 0.0002378 | Pa×s | 456.02 | Calculated Property |
| η | 0.0001856 | Pa×s | 482.52 | Calculated Property |
| η | 0.0001487 | Pa×s | 509.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-[(1-Propoxypropan-2-yl)oxy]propan-2-yl acetate.
Sources
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