- InChI
- InChI=1S/C7H12O/c1-4-7(8,5-2)6-3/h1,8H,5-6H2,2-3H3
- InChI Key
- PUNRPAWKFTXZIW-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- C#CC(O)(CC)CC
- Molecular Weight1
- 112.17
- CAS
- 6285-06-9
- Other Names
-
- 3-Aethyl-pentin-(1)-ol-(3)
- 3-Ethyl-1-pentyn-3-ol
- 3-Pentanol, 3-ethynyl-
- 3-ethylpent-1-yn-3-ol
- Diethylethynylcarbinol
- 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° | 97.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -56.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.42 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 1.171 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3759.17 | kPa | Joback Calculated Property |
| Tboil | [409.50; 411.15] | K |
|
| Tboil | 409.50 ± 0.50 | K | NIST |
| Tboil | 411.15 ± 1.00 | K | NIST |
| Tc | 620.20 | K | Joback Calculated Property |
| Tfus | 240.95 ± 3.00 | K | NIST |
| Vc | 0.398 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.13; 274.35] | J/mol×K | [438.63; 620.20] |
|
| Cp,gas | 221.13 | J/mol×K | 438.63 | Joback Calculated Property |
| Cp,gas | 231.34 | J/mol×K | 468.89 | Joback Calculated Property |
| Cp,gas | 240.97 | J/mol×K | 499.15 | Joback Calculated Property |
| Cp,gas | 250.06 | J/mol×K | 529.41 | Joback Calculated Property |
| Cp,gas | 258.64 | J/mol×K | 559.67 | Joback Calculated Property |
| Cp,gas | 266.72 | J/mol×K | 589.93 | Joback Calculated Property |
| Cp,gas | 274.35 | J/mol×K | 620.20 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.30; 200.38] | kPa | [314.15; 431.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64655e+01 | |||
| Coefficient B | -4.19993e+03 | |||
| Coefficient C | -5.49910e+01 | |||
| Temperature range, min. | 314.15 | |||
| Temperature range, max. | 431.15 | |||
| Pvap | 1.30 | kPa | 314.15 | Calculated Property |
| Pvap | 2.81 | kPa | 327.15 | Calculated Property |
| Pvap | 5.68 | kPa | 340.15 | Calculated Property |
| Pvap | 10.80 | kPa | 353.15 | Calculated Property |
| Pvap | 19.45 | kPa | 366.15 | Calculated Property |
| Pvap | 33.42 | kPa | 379.15 | Calculated Property |
| Pvap | 55.07 | kPa | 392.15 | Calculated Property |
| Pvap | 87.46 | kPa | 405.15 | Calculated Property |
| Pvap | 134.36 | kPa | 418.15 | Calculated Property |
| Pvap | 200.38 | kPa | 431.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentyn-3-ol, 3-ethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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