- InChI
- InChI=1S/C5H7/c1-3-5-4-2/h3-5H,1-2H2
- InChI Key
- DVOOWDFPPNOBFV-UHFFFAOYSA-N
- Formula
- C5H7
- SMILES
- C=C[CH]C=C
- Molecular Weight1
- 67.11
- 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 | 0.1541 | Relay (1.0) Calculated Property | |
| ΔfG° | 216.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 98.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 26.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.25; 7.76] | eV |
|
| IE | 7.25 | eV | NIST |
| IE | 7.76 | eV | NIST |
| log10WS | -2.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.563 | Crippen Calculated Property | |
| McVol | 70.560 | ml/mol | McGowan Calculated Property |
| Pc | 4098.62 | kPa | Joback Calculated Property |
| Tboil | 308.95 | K | Relay (1.0) Calculated Property |
| Tc | 455.12 | K | Relay (1.0) Calculated Property |
| Tfus | 172.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.266 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [86.10; 204.67] | 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 | -2.97300e+01 | |||
| Coefficient B | 5.47800e-01 | |||
| Coefficient C | -5.04600e-04 | |||
| Coefficient D | 1.91200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 86.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 109.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 128.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 144.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 158.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 169.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 178.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 187.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 195.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 204.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004347; 0.0001721] | Pa×s | [143.96; 333.71] |
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 | -9.37065e+00 | |||
| Coefficient B | 2.34610e+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. | 143.96 | |||
| Temperature range, max. | 333.71 | |||
| η | 0.0004347 | Pa×s | 143.96 | Calculated Property |
| η | 0.0003530 | Pa×s | 165.04 | Calculated Property |
| η | 0.0003005 | Pa×s | 186.13 | Calculated Property |
| η | 0.0002643 | Pa×s | 207.21 | Calculated Property |
| η | 0.0002381 | Pa×s | 228.29 | Calculated Property |
| η | 0.0002182 | Pa×s | 249.38 | Calculated Property |
| η | 0.0002028 | Pa×s | 270.46 | Calculated Property |
| η | 0.0001905 | Pa×s | 291.54 | Calculated Property |
| η | 0.0001804 | Pa×s | 312.63 | Calculated Property |
| η | 0.0001721 | Pa×s | 333.71 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Pentadien-3-yl radical.
Sources
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