- InChI
- InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3
- InChI Key
- VLTOSDJJTWPWLS-UHFFFAOYSA-N
- Formula
- C5H6O
- SMILES
- CCC#CC=O
- Molecular Weight1
- 82.10
- CAS
- 55136-52-2
- Other Names
-
- 2-Pentynal
- 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).
- Pvap : Vapor pressure (kPa).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 94.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 40.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.60 | kJ/mol | Joback Calculated Property |
| IE | 10.12 | eV | NIST |
| log10WS | -0.99 | Crippen Calculated Property | |
| logPoct/wat | 0.599 | Crippen Calculated Property | |
| McVol | 74.280 | ml/mol | McGowan Calculated Property |
| Pc | 4665.71 | kPa | Joback Calculated Property |
| I | 1211.00 | NIST | |
| Tboil | 371.46 | K | Joback Calculated Property |
| Tc | 570.89 | K | Joback Calculated Property |
| Tfus | 294.21 | K | Joback Calculated Property |
| Vc | 0.294 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.77; 156.68] | J/mol×K | [371.46; 570.89] | 
|
| Cp,gas | 120.77 | J/mol×K | 371.46 | Joback Calculated Property |
| Cp,gas | 127.39 | J/mol×K | 404.70 | Joback Calculated Property |
| Cp,gas | 133.75 | J/mol×K | 437.94 | Joback Calculated Property |
| Cp,gas | 139.85 | J/mol×K | 471.17 | Joback Calculated Property |
| Cp,gas | 145.71 | J/mol×K | 504.41 | Joback Calculated Property |
| Cp,gas | 151.31 | J/mol×K | 537.65 | Joback Calculated Property |
| Cp,gas | 156.68 | J/mol×K | 570.89 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [302.12; 426.51] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53978e+01 | |||
| Coefficient B | -3.77345e+03 | |||
| Coefficient C | -5.23920e+01 | |||
| Temperature range, min. | 302.12 | |||
| Temperature range, max. | 426.51 | |||
| Pvap | 1.33 | kPa | 302.12 | Calculated Property |
| Pvap | 2.94 | kPa | 315.94 | Calculated Property |
| Pvap | 6.01 | kPa | 329.76 | Calculated Property |
| Pvap | 11.46 | kPa | 343.58 | Calculated Property |
| Pvap | 20.62 | kPa | 357.40 | Calculated Property |
| Pvap | 35.26 | kPa | 371.23 | Calculated Property |
| Pvap | 57.65 | kPa | 385.05 | Calculated Property |
| Pvap | 90.64 | kPa | 398.87 | Calculated Property |
| Pvap | 137.64 | kPa | 412.69 | Calculated Property |
| Pvap | 202.67 | kPa | 426.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Pent-2-ynal.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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