- InChI
- InChI=1S/C4H7/c1-3-4-2/h3-4H,1H2,2H3
- InChI Key
- CRPTXKKKIGGDBX-UHFFFAOYSA-N
- Formula
- C4H7
- SMILES
- C=C[CH]C
- Molecular Weight1
- 55.10
- 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 | 0.1904 | Relay (1.0) Calculated Property | |
| ΔfG° | 120.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 64.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 23.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.49; 7.67] | eV |
|
| IE | 7.49 ± 0.02 | eV | NIST |
| IE | 7.54 | eV | NIST |
| IE | 7.67 ± 0.02 | eV | NIST |
| log10WS | -1.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.397 | Crippen Calculated Property | |
| McVol | 60.770 | ml/mol | McGowan Calculated Property |
| Pc | 4397.41 | kPa | Joback Calculated Property |
| Tboil | 272.53 | K | Relay (1.0) Calculated Property |
| Tc | 413.25 | K | Relay (1.0) Calculated Property |
| Tfus | 113.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.237 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [74.70; 181.59] | 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 | -2.58300e+01 | |||
| Coefficient B | 4.72820e-01 | |||
| Coefficient C | -4.27300e-04 | |||
| Coefficient D | 1.61900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 74.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 95.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 112.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 126.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 138.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 148.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 157.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 165.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 173.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 181.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003434; 0.0001425] | Pa×s | [134.45; 316.60] |
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 | -9.50585e+00 | |||
| Coefficient B | 2.05610e+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. | 134.45 | |||
| Temperature range, max. | 316.60 | |||
| η | 0.0003434 | Pa×s | 134.45 | Calculated Property |
| η | 0.0002811 | Pa×s | 154.69 | Calculated Property |
| η | 0.0002411 | Pa×s | 174.93 | Calculated Property |
| η | 0.0002134 | Pa×s | 195.17 | Calculated Property |
| η | 0.0001933 | Pa×s | 215.41 | Calculated Property |
| η | 0.0001781 | Pa×s | 235.65 | Calculated Property |
| η | 0.0001662 | Pa×s | 255.89 | Calculated Property |
| η | 0.0001567 | Pa×s | 276.13 | Calculated Property |
| η | 0.0001489 | Pa×s | 296.37 | Calculated Property |
| η | 0.0001425 | Pa×s | 316.60 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Buten-3-yl radical.
Sources
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