- InChI
- InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3
- InChI Key
- JTHLRRZARWSHBE-UHFFFAOYSA-N
- Formula
- C5H8O
- SMILES
- C#CCC(C)O
- Molecular Weight1
- 84.12
- CAS
- 2117-11-5
- Other Names
-
- 4-Pentyne-2-ol
- pent-4-yn-2-ol
- 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).
- 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° | 75.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -12.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.87 | kJ/mol | Joback Calculated Property |
| IE | 10.24 | eV | NIST |
| log10WS | -1.09 | Crippen Calculated Property | |
| logPoct/wat | 0.390 | Crippen Calculated Property | |
| McVol | 78.580 | ml/mol | McGowan Calculated Property |
| Pc | 4756.24 | kPa | Joback Calculated Property |
| Tboil | [300.45; 399.70] | K |
|
| Tboil | 399.70 | K | NIST |
| Tboil | 399.00 | K | NIST |
| Tboil | 300.45 ± 0.50 | K | NIST |
| Tc | 572.36 | K | Joback Calculated Property |
| Tfus | 238.90 | K | Joback Calculated Property |
| Vc | 0.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.04; 182.15] | J/mol×K | [395.66; 572.36] |
|
| Cp,gas | 145.04 | J/mol×K | 395.66 | Joback Calculated Property |
| Cp,gas | 151.97 | J/mol×K | 425.11 | Joback Calculated Property |
| Cp,gas | 158.59 | J/mol×K | 454.56 | Joback Calculated Property |
| Cp,gas | 164.90 | J/mol×K | 484.01 | Joback Calculated Property |
| Cp,gas | 170.92 | J/mol×K | 513.46 | Joback Calculated Property |
| Cp,gas | 176.67 | J/mol×K | 542.91 | Joback Calculated Property |
| Cp,gas | 182.15 | J/mol×K | 572.36 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.34; 203.26] | kPa | [305.15; 419.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64795e+01 | |||
| Coefficient B | -4.10284e+03 | |||
| Coefficient C | -5.16780e+01 | |||
| Temperature range, min. | 305.15 | |||
| Temperature range, max. | 419.15 | |||
| Pvap | 1.34 | kPa | 305.15 | Calculated Property |
| Pvap | 2.90 | kPa | 317.82 | Calculated Property |
| Pvap | 5.83 | kPa | 330.48 | Calculated Property |
| Pvap | 11.06 | kPa | 343.15 | Calculated Property |
| Pvap | 19.88 | kPa | 355.82 | Calculated Property |
| Pvap | 34.08 | kPa | 368.48 | Calculated Property |
| Pvap | 56.08 | kPa | 381.15 | Calculated Property |
| Pvap | 88.92 | kPa | 393.82 | Calculated Property |
| Pvap | 136.44 | kPa | 406.48 | Calculated Property |
| Pvap | 203.26 | kPa | 419.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pentyn-2-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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