- 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
- 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.
- Ip : 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 | 0.4478 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.89 | Relay (1.0) 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 | |
| Ip | [1063.00; 1079.00] |
|
|
| Ip | 1067.00 | NIST | |
| Ip | 1068.00 | NIST | |
| Ip | Outlier 1079.00 | NIST | |
| Ip | 1063.00 | NIST | |
| Ip | 1063.00 | NIST | |
| Ip | 1067.00 | NIST | |
| Ip | 1068.00 | NIST | |
| Ip | 1067.00 | NIST | |
| Ip | 1068.00 | NIST | |
| Tboil | 433.37 | K | Relay (1.0) Calculated Property |
| Tc | 592.02 | K | Relay (1.0) Calculated Property |
| Tfus | 178.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.59; 521.72] | 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 | 4.23430e+01 | |||
| Coefficient B | 7.44280e-01 | |||
| Coefficient C | -2.50200e-04 | |||
| Coefficient D | -1.47000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 226.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 273.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 317.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 357.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 393.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 426.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 456.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 481.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 503.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 521.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0081421; 0.0001857] | Pa×s | [205.65; 433.98] |
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 | -1.19962e+01 | |||
| Coefficient B | 1.47770e+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. | 205.65 | |||
| Temperature range, max. | 433.98 | |||
| η | 0.0081421 | Pa×s | 205.65 | Calculated Property |
| η | 0.0036986 | Pa×s | 231.02 | Calculated Property |
| η | 0.0019640 | Pa×s | 256.39 | Calculated Property |
| η | 0.0011689 | Pa×s | 281.76 | Calculated Property |
| η | 0.0007579 | Pa×s | 307.13 | Calculated Property |
| η | 0.0005250 | Pa×s | 332.50 | Calculated Property |
| η | 0.0003831 | Pa×s | 357.87 | Calculated Property |
| η | 0.0002915 | Pa×s | 383.24 | Calculated Property |
| η | 0.0002294 | Pa×s | 408.61 | Calculated Property |
| η | 0.0001857 | Pa×s | 433.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,1-diethoxy-2-methyl-.
Sources
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