- InChI
- InChI=1S/C5H7/c1-3-5-4-2/h1,5H,4H2,2H3
- InChI Key
- PHBDUZYYMFTIDN-UHFFFAOYSA-N
- Formula
- C5H7
- SMILES
- C#C[CH]CC
- Molecular Weight1
- 67.11
- CAS
- 115236-80-1
- Other Names
-
- Pent-1-yn-3-yl radical
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.1718 | Relay (... Calculated Property | |
| ΔfG° | 264.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 226.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 9.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 25.84 | kJ/mol | Relay (... Calculated Property |
| IE | 7.60 | eV | NIST |
| log10WS | -1.16 | Relay (... Calculated Property | |
| logPoct/wat | 1.234 | Crippen Calculated Property | |
| McVol | 70.560 | ml/mol | McGowan Calculated Property |
| Pc | 4456.32 | kPa | Joback Calculated Property |
| Tboil | 316.48 | K | Relay (... Calculated Property |
| Tc | 465.87 | K | Relay (... Calculated Property |
| Tfus | 159.78 | K | Relay (... Calculated Property |
| Vc | 0.248 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [102.74; 141.34] | J/mol×K | [302.78; 478.11] | 
|
| Cp,gas | 102.74 | J/mol×K | 302.78 | Joback Calculated Property |
| Cp,gas | 110.29 | J/mol×K | 332.00 | Joback Calculated Property |
| Cp,gas | 117.35 | J/mol×K | 361.22 | Joback Calculated Property |
| Cp,gas | 123.96 | J/mol×K | 390.45 | Joback Calculated Property |
| Cp,gas | 130.15 | J/mol×K | 419.67 | Joback Calculated Property |
| Cp,gas | 135.93 | J/mol×K | 448.89 | Joback Calculated Property |
| Cp,gas | 141.34 | J/mol×K | 478.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pent-1-yn-3-yl.
Sources
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