- InChI
- InChI=1S/C4H7/c1-3-4-2/h1,3H,4H2,2H3
- InChI Key
- JUPMBRMEHSUGLE-UHFFFAOYSA-N
- Formula
- C4H7
- SMILES
- [CH]=CCC
- Molecular Weight1
- 55.10
- CAS
- 2669-61-6
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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 | 0.2432 | Relay (1.0) Calculated Property | |
| EA | 0.72 ± 0.23 | eV | NIST |
| ΔfG° | 115.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 39.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 22.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.386 | Crippen Calculated Property | |
| McVol | 60.770 | ml/mol | McGowan Calculated Property |
| Pc | 4409.10 | kPa | Joback Calculated Property |
| Tboil | 293.97 | K | Relay (1.0) Calculated Property |
| Tc | 435.51 | K | Relay (1.0) Calculated Property |
| Tfus | 125.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.240 | 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 | [70.82; 178.98] | 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 | -3.53390e+01 | |||
| Coefficient B | 5.06920e-01 | |||
| Coefficient C | -4.85000e-04 | |||
| Coefficient D | 1.92400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 70.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 91.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 109.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 123.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 135.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 145.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 154.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 162.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 170.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 178.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002849; 0.0001300] | Pa×s | [146.13; 323.57] |
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 | -9.59485e+00 | |||
| Coefficient B | 2.09190e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 146.13 | |||
| Temperature range, max. | 323.57 | |||
| η | 0.0002849 | Pa×s | 146.13 | Calculated Property |
| η | 0.0002403 | Pa×s | 165.85 | Calculated Property |
| η | 0.0002102 | Pa×s | 185.56 | Calculated Property |
| η | 0.0001886 | Pa×s | 205.28 | Calculated Property |
| η | 0.0001725 | Pa×s | 224.99 | Calculated Property |
| η | 0.0001601 | Pa×s | 244.71 | Calculated Property |
| η | 0.0001502 | Pa×s | 264.42 | Calculated Property |
| η | 0.0001422 | Pa×s | 284.14 | Calculated Property |
| η | 0.0001355 | Pa×s | 303.85 | Calculated Property |
| η | 0.0001300 | Pa×s | 323.57 | Calculated Property |
Similar Compounds
Find more compounds similar to EtCH=CH.
Sources
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