- InChI
- InChI=1S/C5H6O/c1-2-3-4-5-6/h1,3-4,6H,5H2/b4-3+
- InChI Key
- TWJDCTNDUKKEMU-ONEGZZNKSA-N
- Formula
- C5H6O
- SMILES
- C#CC=CCO
- Molecular Weight1
- 82.10
- CAS
- 5557-88-0
- Other Names
-
- pent-2-en-4-yn-1-ol
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4514 | Relay (1.0) Calculated Property | |
| ΔfG° | 157.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 88.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.168 | Crippen Calculated Property | |
| McVol | 74.280 | ml/mol | McGowan Calculated Property |
| Pc | 5058.59 | kPa | Joback Calculated Property |
| Tboil | 428.34 | K | Relay (1.0) Calculated Property |
| Tc | 638.18 | K | Relay (1.0) Calculated Property |
| Tfus | 295.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.242 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.44; 161.70] | J/mol×K | [400.26; 581.84] | 
|
| Cp,gas | 129.44 | J/mol×K | 400.26 | Joback Calculated Property |
| Cp,gas | 135.66 | J/mol×K | 430.52 | Joback Calculated Property |
| Cp,gas | 141.51 | J/mol×K | 460.79 | Joback Calculated Property |
| Cp,gas | 147.02 | J/mol×K | 491.05 | Joback Calculated Property |
| Cp,gas | 152.20 | J/mol×K | 521.31 | Joback Calculated Property |
| Cp,gas | 157.09 | J/mol×K | 551.57 | Joback Calculated Property |
| Cp,gas | 161.70 | J/mol×K | 581.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 341.50 ± 0.50 | K | 2.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Penten-4-yn-1-ol.
Sources
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