- InChI
- InChI=1S/C6H12O/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3/b6-5+
- InChI Key
- AQTYNINXYJFSHD-AATRIKPKSA-N
- Formula
- C6H12O
- SMILES
- CCC=COCC
- Molecular Weight1
- 100.16
- CAS
- 1528-20-7
- Other Names
-
- 1-Butene, 1-ethoxy-, (E)-
- 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).
- 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 | 0.3159 | Relay (1.0) Calculated Property | |
| ΔfG° | -25.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -224.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.947 | Crippen Calculated Property | |
| McVol | 96.970 | ml/mol | McGowan Calculated Property |
| Pc | 3231.98 | kPa | Joback Calculated Property |
| Tboil | 359.14 | K | Relay (1.0) Calculated Property |
| Tc | 538.82 | K | Relay (1.0) Calculated Property |
| Tfus | 187.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.371 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.17; 316.79] | 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 | 8.75200e+00 | |||
| Coefficient B | 5.30640e-01 | |||
| Coefficient C | -2.75400e-04 | |||
| Coefficient D | 5.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 134.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 191.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 216.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 238.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 258.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 275.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 291.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 304.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 316.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032729; 0.0001649] | Pa×s | [174.53; 375.81] |
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 | -1.13012e+01 | |||
| Coefficient B | 9.73730e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 174.53 | |||
| Temperature range, max. | 375.81 | |||
| η | 0.0032729 | Pa×s | 174.53 | Calculated Property |
| η | 0.0017367 | Pa×s | 196.89 | Calculated Property |
| η | 0.0010487 | Pa×s | 219.26 | Calculated Property |
| η | 0.0006952 | Pa×s | 241.62 | Calculated Property |
| η | 0.0004942 | Pa×s | 263.99 | Calculated Property |
| η | 0.0003705 | Pa×s | 286.35 | Calculated Property |
| η | 0.0002896 | Pa×s | 308.71 | Calculated Property |
| η | 0.0002340 | Pa×s | 331.08 | Calculated Property |
| η | 0.0001943 | Pa×s | 353.44 | Calculated Property |
| η | 0.0001649 | Pa×s | 375.81 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-1-Butenyl ethyl ether.
Sources
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