- InChI
- InChI=1S/C5H9/c1-3-5-4-2/h4-5H,1,3H2,2H3/b5-4+
- InChI Key
- NPUZFKMKEFBWLV-SNAWJCMRSA-N
- Formula
- C5H9
- SMILES
- [CH2]CC=CC
- Molecular Weight1
- 69.12
- CAS
- 41182-83-6
- 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).
- 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 | 0.2498 | Relay (1.0) Calculated Property | |
| ΔfG° | 123.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 59.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.65 | eV | NIST |
| logPoct/wat | 1.787 | Crippen Calculated Property | |
| McVol | 74.860 | ml/mol | McGowan Calculated Property |
| Pc | 3896.50 | kPa | Joback Calculated Property |
| Tboil | 326.04 | K | Relay (1.0) Calculated Property |
| Tc | 479.28 | K | Relay (1.0) Calculated Property |
| Tfus | 126.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.282 | 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 | [92.03; 230.57] | 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 | -3.62480e+01 | |||
| Coefficient B | 6.01920e-01 | |||
| Coefficient C | -5.39400e-04 | |||
| Coefficient D | 2.04300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 92.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 118.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 140.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 158.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 174.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 187.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 199.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 209.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 219.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 230.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004809; 0.0001707] | Pa×s | [157.40; 340.34] |
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 | -9.56705e+00 | |||
| Coefficient B | 3.03350e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 157.40 | |||
| Temperature range, max. | 340.34 | |||
| η | 0.0004809 | Pa×s | 157.40 | Calculated Property |
| η | 0.0003858 | Pa×s | 177.73 | Calculated Property |
| η | 0.0003238 | Pa×s | 198.05 | Calculated Property |
| η | 0.0002808 | Pa×s | 218.38 | Calculated Property |
| η | 0.0002495 | Pa×s | 238.71 | Calculated Property |
| η | 0.0002258 | Pa×s | 259.03 | Calculated Property |
| η | 0.0002073 | Pa×s | 279.36 | Calculated Property |
| η | 0.0001926 | Pa×s | 299.69 | Calculated Property |
| η | 0.0001806 | Pa×s | 320.01 | Calculated Property |
| η | 0.0001707 | Pa×s | 340.34 | Calculated Property |
Similar Compounds
Find more compounds similar to Pent-3-en-1-yl radical.
Sources
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