- InChI
- InChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3
- InChI Key
- KOCUMXQOUWPSLK-UHFFFAOYSA-N
- Formula
- C5H8O
- SMILES
- C=CC=COC
- Molecular Weight1
- 84.12
- CAS
- 3036-66-6
- Other Names
-
- 1-Methoxy-1,3-butadiene
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.2772 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -55.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.333 | Crippen Calculated Property | |
| McVol | 78.580 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Tboil | 364.70 | K | NIST |
| Tc | 514.85 | K | Relay (1.0) Calculated Property |
| Tfus | 214.40 ± 0.60 | K | NIST |
| Vc | 0.283 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [103.14; 236.69] | 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 | 6.67000e+00 | |||
| Coefficient B | 4.15620e-01 | |||
| Coefficient C | -2.43900e-04 | |||
| Coefficient D | 5.83000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 103.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 125.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 146.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 164.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 180.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 194.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 206.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 218.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 227.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 236.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006483; 0.0001394] | Pa×s | [214.40; 360.14] |
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 | -1.11398e+01 | |||
| Coefficient B | 8.14410e+02 | |||
| 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. | 214.40 | |||
| Temperature range, max. | 360.14 | |||
| η | 0.0006483 | Pa×s | 214.40 | Calculated Property |
| η | 0.0004965 | Pa×s | 230.59 | Calculated Property |
| η | 0.0003938 | Pa×s | 246.79 | Calculated Property |
| η | 0.0003214 | Pa×s | 262.98 | Calculated Property |
| η | 0.0002685 | Pa×s | 279.17 | Calculated Property |
| η | 0.0002288 | Pa×s | 295.37 | Calculated Property |
| η | 0.0001983 | Pa×s | 311.56 | Calculated Property |
| η | 0.0001743 | Pa×s | 327.76 | Calculated Property |
| η | 0.0001550 | Pa×s | 343.95 | Calculated Property |
| η | 0.0001394 | Pa×s | 360.14 | Calculated Property |
Similar Compounds
Find more compounds similar to buta-1,3-dienyl methyl ether.
Sources
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