- InChI
- InChI=1S/C5H10O/c1-3-4-5-6-2/h4-5H,3H2,1-2H3/b5-4+
- InChI Key
- KMQWOHBEYVPGQJ-SNAWJCMRSA-N
- Formula
- C5H10O
- SMILES
- CCC=COC
- Molecular Weight1
- 86.13
- CAS
- 10034-13-6
- Other Names
-
- (1E)-1-Butenyl methyl ether
- (E)-1-Methoxy-1-butene
- (E)-CH3CH2CH=CH(OCH3)
- 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).
- 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 | 0.2904 | Relay (1.0) Calculated Property | |
| ΔfG° | -33.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -184.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.556 | Crippen Calculated Property | |
| McVol | 82.880 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Tboil | 346.72 | K | Relay (1.0) Calculated Property |
| Tc | 515.70 | K | Relay (1.0) Calculated Property |
| Tfus | 188.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.309 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [112.95; 265.20] | 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 | 9.66100e+00 | |||
| Coefficient B | 4.35640e-01 | |||
| Coefficient C | -2.21000e-04 | |||
| Coefficient D | 4.09000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 112.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 137.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 160.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 181.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 199.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 215.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 230.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 243.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 255.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 265.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028355; 0.0001494] | Pa×s | [163.26; 359.85] |
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 | -1.12531e+01 | |||
| Coefficient B | 8.79570e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 163.26 | |||
| Temperature range, max. | 359.85 | |||
| η | 0.0028355 | Pa×s | 163.26 | Calculated Property |
| η | 0.0015015 | Pa×s | 185.10 | Calculated Property |
| η | 0.0009093 | Pa×s | 206.95 | Calculated Property |
| η | 0.0006060 | Pa×s | 228.79 | Calculated Property |
| η | 0.0004335 | Pa×s | 250.63 | Calculated Property |
| η | 0.0003272 | Pa×s | 272.48 | Calculated Property |
| η | 0.0002575 | Pa×s | 294.32 | Calculated Property |
| η | 0.0002094 | Pa×s | 316.16 | Calculated Property |
| η | 0.0001750 | Pa×s | 338.01 | Calculated Property |
| η | 0.0001494 | Pa×s | 359.85 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-1-Methoxy-1-butene.
Sources
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