- InChI
- InChI=1S/C7H16O4/c1-8-6(9-2)5-7(10-3)11-4/h6-7H,5H2,1-4H3
- InChI Key
- XHTYQFMRBQUCPX-UHFFFAOYSA-N
- Formula
- C7H16O4
- SMILES
- COC(CC(OC)OC)OC
- Molecular Weight1
- 164.20
- CAS
- 102-52-3
- Other Names
-
- Malonaldehyde, bis(dimethyl acetal)
- Malonaldehyde tetramethyl acetal
- Tetramethoxypropane
- 1,1,3,3-Tetramethoxypropane
- Malondialdehyde bis(dimethylacetal)
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -723.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.67 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.614 | Crippen Calculated Property | |
| McVol | 132.970 | ml/mol | McGowan Calculated Property |
| Inp | [883.00; 883.00] |
|
|
| Inp | 883.00 | NIST | |
| Inp | 883.00 | NIST | |
| Tboil | 456.20 | K | NIST |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [214.97; 455.54] | 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 | 9.51610e+01 | |||
| Coefficient B | 4.27880e-01 | |||
| Coefficient C | 8.06000e-05 | |||
| Coefficient D | -1.48100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 214.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 250.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 284.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 316.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 347.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 375.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 401.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 423.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 441.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 455.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036719; 0.0001481] | Pa×s | [227.57; 434.63] |
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 | -1.23459e+01 | |||
| Coefficient B | 1.53356e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 227.57 | |||
| Temperature range, max. | 434.63 | |||
| η | 0.0036719 | Pa×s | 227.57 | Calculated Property |
| η | 0.0019778 | Pa×s | 250.58 | Calculated Property |
| η | 0.0011821 | Pa×s | 273.58 | Calculated Property |
| η | 0.0007653 | Pa×s | 296.59 | Calculated Property |
| η | 0.0005274 | Pa×s | 319.60 | Calculated Property |
| η | 0.0003821 | Pa×s | 342.60 | Calculated Property |
| η | 0.0002883 | Pa×s | 365.61 | Calculated Property |
| η | 0.0002249 | Pa×s | 388.62 | Calculated Property |
| η | 0.0001804 | Pa×s | 411.62 | Calculated Property |
| η | 0.0001481 | Pa×s | 434.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1,1,3,3-tetramethoxy-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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