- InChI
- InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3
- InChI Key
- IDYNOORNKYEHHO-UHFFFAOYSA-N
- Formula
- C5H8O
- SMILES
- CC#CCCO
- Molecular Weight1
- 84.12
- CAS
- 10229-10-4
- Other Names
-
- pent-3-yn-1-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).
- 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° | 57.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -26.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.55 | kJ/mol | Joback Calculated Property |
| log10WS | -0.97 | Crippen Calculated Property | |
| logPoct/wat | 0.392 | Crippen Calculated Property | |
| McVol | 78.580 | ml/mol | McGowan Calculated Property |
| Pc | 4782.59 | kPa | Joback Calculated Property |
| Tboil | [428.50; 428.70] | K |
|
| Tboil | 428.50 ± 1.50 | K | NIST |
| Tboil | 428.70 | K | NIST |
| Tc | 599.21 | K | Joback Calculated Property |
| Tfus | 313.03 | K | Joback Calculated Property |
| Vc | 0.296 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.38; 179.75] | J/mol×K | [414.98; 599.21] |
|
| Cp,gas | 142.38 | J/mol×K | 414.98 | Joback Calculated Property |
| Cp,gas | 149.23 | J/mol×K | 445.68 | Joback Calculated Property |
| Cp,gas | 155.82 | J/mol×K | 476.39 | Joback Calculated Property |
| Cp,gas | 162.17 | J/mol×K | 507.09 | Joback Calculated Property |
| Cp,gas | 168.26 | J/mol×K | 537.80 | Joback Calculated Property |
| Cp,gas | 174.12 | J/mol×K | 568.50 | Joback Calculated Property |
| Cp,gas | 179.75 | J/mol×K | 599.21 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.36; 201.06] | kPa | [330.15; 451.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64446e+01 | |||
| Coefficient B | -4.35474e+03 | |||
| Coefficient C | -6.02730e+01 | |||
| Temperature range, min. | 330.15 | |||
| Temperature range, max. | 451.15 | |||
| Pvap | 1.36 | kPa | 330.15 | Calculated Property |
| Pvap | 2.93 | kPa | 343.59 | Calculated Property |
| Pvap | 5.87 | kPa | 357.04 | Calculated Property |
| Pvap | 11.10 | kPa | 370.48 | Calculated Property |
| Pvap | 19.88 | kPa | 383.93 | Calculated Property |
| Pvap | 34.00 | kPa | 397.37 | Calculated Property |
| Pvap | 55.80 | kPa | 410.82 | Calculated Property |
| Pvap | 88.29 | kPa | 424.26 | Calculated Property |
| Pvap | 135.20 | kPa | 437.71 | Calculated Property |
| Pvap | 201.06 | kPa | 451.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentyn-1-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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