- InChI
- InChI=1S/C4H7/c1-3-4-2/h3H,1-2,4H2
- InChI Key
- UHURJXXAXXMMLW-UHFFFAOYSA-N
- Formula
- C4H7
- SMILES
- [CH2]CC=C
- Molecular Weight1
- 55.10
- CAS
- 2154-62-3
- 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).
- 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 | 0.2246 | Relay (1.0) Calculated Property | |
| EA | 0.09 ± 0.12 | eV | NIST |
| ΔfG° | 123.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 93.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 23.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.04; 8.47] | eV |
|
| IE | 8.04 ± 0.03 | eV | NIST |
| IE | 8.47 ± 0.05 | eV | NIST |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.397 | Crippen Calculated Property | |
| McVol | 60.770 | ml/mol | McGowan Calculated Property |
| Pc | 4351.13 | kPa | Joback Calculated Property |
| Tboil | 287.64 | K | Relay (1.0) Calculated Property |
| Tc | 431.67 | K | Relay (1.0) Calculated Property |
| Tfus | 101.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.230 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [75.01; 181.05] | 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 | -2.41480e+01 | |||
| Coefficient B | 4.66900e-01 | |||
| Coefficient C | -4.24100e-04 | |||
| Coefficient D | 1.62400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 75.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 95.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 111.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 126.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 137.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 147.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 156.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 164.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 172.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 181.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002615; 0.0001452] | Pa×s | [149.45; 314.02] |
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 | -9.37185e+00 | |||
| Coefficient B | 1.67790e+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. | 149.45 | |||
| Temperature range, max. | 314.02 | |||
| η | 0.0002615 | Pa×s | 149.45 | Calculated Property |
| η | 0.0002314 | Pa×s | 167.74 | Calculated Property |
| η | 0.0002097 | Pa×s | 186.02 | Calculated Property |
| η | 0.0001934 | Pa×s | 204.31 | Calculated Property |
| η | 0.0001808 | Pa×s | 222.59 | Calculated Property |
| η | 0.0001708 | Pa×s | 240.88 | Calculated Property |
| η | 0.0001626 | Pa×s | 259.16 | Calculated Property |
| η | 0.0001558 | Pa×s | 277.45 | Calculated Property |
| η | 0.0001501 | Pa×s | 295.74 | Calculated Property |
| η | 0.0001452 | Pa×s | 314.02 | Calculated Property |
Similar Compounds
Find more compounds similar to But-3-en-1-yl radical.
Sources
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