- InChI
- InChI=1S/C9H20O2/c1-5-8(4)9(10-6-2)11-7-3/h8-9H,5-7H2,1-4H3
- InChI Key
- PAPSQZAQCBGYCJ-UHFFFAOYSA-N
- Formula
- C9H20O2
- SMILES
- CCOC(OCC)C(C)CC
- Molecular Weight1
- 160.25
- CAS
- 3658-94-4
- Other Names
-
- Butyraldehyde, 2-methyl-, diethyl acetal
- 1,1-Diethoxy-2-methylbutane
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -189.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 2.432 | Crippen Calculated Property | |
| McVol | 149.410 | ml/mol | McGowan Calculated Property |
| Pc | 2267.57 | kPa | Joback Calculated Property |
| Inp | [953.00; 953.00] |
|
|
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| I | [1063.00; 1079.00] |
|
|
| I | 1067.00 | NIST | |
| I | 1068.00 | NIST | |
| I | Outlier 1079.00 | NIST | |
| I | 1063.00 | NIST | |
| I | 1063.00 | NIST | |
| I | 1067.00 | NIST | |
| I | 1068.00 | NIST | |
| I | 1068.00 | NIST | |
| I | 1067.00 | NIST | |
| Tboil | 449.28 | K | Joback Calculated Property |
| Tc | 619.70 | K | Joback Calculated Property |
| Tfus | 205.65 | K | Joback Calculated Property |
| Vc | 0.564 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.90; 403.99] | J/mol×K | [449.28; 619.70] |
|
| Cp,gas | 324.90 | J/mol×K | 449.28 | Joback Calculated Property |
| Cp,gas | 339.18 | J/mol×K | 477.68 | Joback Calculated Property |
| Cp,gas | 353.03 | J/mol×K | 506.09 | Joback Calculated Property |
| Cp,gas | 366.43 | J/mol×K | 534.49 | Joback Calculated Property |
| Cp,gas | 379.40 | J/mol×K | 562.89 | Joback Calculated Property |
| Cp,gas | 391.92 | J/mol×K | 591.30 | Joback Calculated Property |
| Cp,gas | 403.99 | J/mol×K | 619.70 | Joback Calculated Property |
| η | [0.0001654; 0.0081421] | Pa×s | [205.65; 449.28] |
|
| η | 0.0081421 | Pa×s | 205.65 | Joback Calculated Property |
| η | 0.0024899 | Pa×s | 246.25 | Joback Calculated Property |
| η | 0.0010648 | Pa×s | 286.86 | Joback Calculated Property |
| η | 0.0005622 | Pa×s | 327.47 | Joback Calculated Property |
| η | 0.0003417 | Pa×s | 368.07 | Joback Calculated Property |
| η | 0.0002293 | Pa×s | 408.67 | Joback Calculated Property |
| η | 0.0001654 | Pa×s | 449.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,1-diethoxy-2-methyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.