- InChI
- InChI=1S/C6H12O2/c1-4-5-6(7-2)8-3/h4-6H,1-3H3/b5-4-
- InChI Key
- NOYRGONWBIVLEL-SNAWJCMRSA-N
- Formula
- C6H12O2
- SMILES
- C/C=C/C(OC)OC
- Molecular Weight1
- 116.16
- Other Names
-
- 1,1-dimethoxybut-2-ene
- 2-Butenal dimethyl acetal
- Crotonaldehyde, dimethyl acetal
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -303.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -346.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 10.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [43.00; 43.26] | kJ/mol |
|
| ΔvapH° | 43.26 | kJ/mol | NIST |
| ΔvapH° | 43.00 | kJ/mol | NIST |
| logPoct/wat | 1.181 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Tboil | 388.61 | K | Relay (1.0) Calculated Property |
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 | [149.26; 335.83] | 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 | 3.25700e+01 | |||
| Coefficient B | 4.73360e-01 | |||
| Coefficient C | -1.67600e-04 | |||
| Coefficient D | -2.50000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 149.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 178.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 206.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 231.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 254.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 275.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 293.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 310.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 324.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 335.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043568; 0.0001509] | Pa×s | [181.76; 394.45] |
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 | -1.16730e+01 | |||
| Coefficient B | 1.13364e+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. | 181.76 | |||
| Temperature range, max. | 394.45 | |||
| η | 0.0043568 | Pa×s | 181.76 | Calculated Property |
| η | 0.0021258 | Pa×s | 205.39 | Calculated Property |
| η | 0.0012028 | Pa×s | 229.02 | Calculated Property |
| η | 0.0007570 | Pa×s | 252.66 | Calculated Property |
| η | 0.0005157 | Pa×s | 276.29 | Calculated Property |
| η | 0.0003733 | Pa×s | 299.92 | Calculated Property |
| η | 0.0002832 | Pa×s | 323.55 | Calculated Property |
| η | 0.0002231 | Pa×s | 347.18 | Calculated Property |
| η | 0.0001812 | Pa×s | 370.81 | Calculated Property |
| η | 0.0001509 | Pa×s | 394.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene, 1,1-dimethoxy-.
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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